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# Zigzag Structures of Simple Two-faced Polyhedra

## 1 Introduction: main notions

A graph $`G`$ consists of a vertex-set $`V(G)`$ and an edge-set $`E(G)`$, such that either one or two vertices are assigned to each edge as its ends. A graph is said to be simple if no edge has only one end-vertex and no two edges have identical end-vertices. A plane graph is a particular drawing of a graph in the Euclidean plane using smooth curves that cross each other only at the vertices of the graph. A graph, which has at least one such drawing, is called planar. We only deal with simple connected plane graphs, whose vertex-sets and edge-sets are finite.

By a polyhedron we mean a convex $`3`$-dimensional polytope. The vertices and the edges of a polyhedron form a simple planar $`3`$-connected graph called skeleton. Such a graph has a unique drawing (up to diffeomorphisms of the Euclidean plane), but there exist many distinct polyhedra having this graph as their skeleton; all such polyhedra are of the same combinatorial type. The group of isometries of a polyhedron (so-called point group) is a subgroup of the algebraic symmetry group of the graph. By a theorem of Mani (\[Ma71\]), there is, for each combinatorial type, at least one polyhedron, for which this inclusion becomes equality. So, we can identify the polyhedron and its graph, as well as the algebraic symmetry group and the point group.

The $`v`$-vector $`v(G)=(\mathrm{},v_i,\mathrm{})`$ of a polyhedron $`G`$ enumerates the numbers $`v_i`$ of vertices of degree $`i`$. A polyhedron is simple if $`v_i=0`$ for $`i3`$. The $`p`$-vector $`p(G)=(\mathrm{},p_i,\mathrm{})`$ of a polyhedron $`G`$ counts the numbers $`p_i`$ of faces having $`i`$ sides. For a connected plane graph $`G`$, we denote its plane dual graph by $`G^{}`$ and define it on the set of faces of $`G`$ with two faces being adjacent if they share an edge. Clearly, $`v(G^{})=p(G)`$ and $`p(G^{})=v(G)`$.

Let $`G`$ be a plane graph, such that every of its vertices has at least degree $`3`$. Then all edges, incident to a vertex $`x`$, can be labeled in counter-clockwise order as $`e_1,e_2,\mathrm{},e_k`$, where $`k`$ is the degree of $`x`$ in $`G`$. For any edge $`e_i`$, $`1ik`$, the edges $`e_{i+1}`$, and $`e_{i1}`$ (with $`i+1`$ and $`i1`$ being addition modulo $`k`$) are called, respectively, the left and the right. A circuit of edges of $`G`$ is called a zigzag (or a Petrie path \[Cox73\], geodesic \[GrünMo63\], left-right path \[Sh75\]), if, in tracing the circuit, we alternately select, as the next edge, the left neighbor and the right neighbor (see Figure 1). In a $`3`$-valent plane graph, any pair of edges sharing a vertex define a zigzag.

Given an edge, there are two possible directions for extending it to a zigzag. Hence, each edge is covered exactly twice by zigzags. A zigzag $`Z`$ is called simple if it has no self-intersection. Otherwise, it has at least one edge, say, $`e`$, in which it self-intersects. Let us choose an orientation on $`Z`$; call the edge $`e`$ of type I or type II \[GrünMo63\] if $`Z`$ traverses it twice in the opposite or in the same direction, respectively (see Figure 1). Clearly, the type of edge does not depend on the choice of orientation. Edges of type I and type II correspond to edges of cocycle and cycle character in \[Sh75\]. The signature of a zigzag is the pair $`(\alpha _1,\alpha _2)`$, where $`\alpha _1`$ and $`\alpha _2`$ are the numbers of its edges of type I and type II, respectively.

The $`z`$-vector of a graph $`G`$ is the vector enumerating the lengths of all its zigzags with their signature as subscript. The simple zigzags are put in the beginning, in increasing order of length, without their signature $`(0,0)`$, and separated by a semicolon from others. Self-intersecting zigzags are also ordered by increasing lengths. If there are $`m>1`$ zigzags of the same length $`l`$ and the same signature $`(\alpha _1,\alpha _2)(0,0)`$, then we write $`l_{\alpha _1,\alpha _2}^m`$. For a zigzag $`Z`$, its intersection vector $`Int(Z)=(\mathrm{},c_k^{m_k},\mathrm{})`$ is such that $`(\mathrm{},c_k,\mathrm{})`$ is an increasing sequence of sizes $`c_k`$ of its intersection with all others zigzags, and $`m_k`$ denote respective multiplicities.

The length of each zigzag is even, because we consecutively take left and right turns. But the length of intersection of two simple zigzags can be odd (see Klein and Dyck maps on the Table 1; they both have oreinted genus $`3`$ and come as quotients of regular triangulations of the hyperbolic plane having valency $`7`$ and $`8`$, respectively). Returning to our plane case, the number of intersection can be even only.

A graph is called $`z`$-uniform if all zigzags have the same length and signature, $`z`$-transitive if its group acts transitively on zigzags. Clearly, $`z`$-transitivity implies $`z`$-uniformity. A graph is called $`z`$-knotted if it has only one zigzag, $`z`$-balanced if all its zigzags of the same length and same signature, have identical intersection vectors. Clearly, $`z`$-transitivity implies $`z`$-balancedness.

Let $`Z_1`$, …, $`Z_p`$ be all zigzags of $`G`$. On every zigzag choose an orientation; there are $`2^p`$ possibilities. Every edge, being covered twice by zigzags (one or two), can be, with respect to the choosen orientation of all zigzags, oriented in the opposite or same direction. We call such an edge of type I or type II with respect to the fixed orientation. If an edge is a self-intersection edge of some zigzag, then the notion of type is independent of the fixed orientation and coincides with the notion of type I and II, which was introduced above.

While for dual graphs $`v`$\- and $`p`$-vectors are interchanged, the $`z`$-vector remains the same, except that type I and type II in the signature are interchanged. Other kinds of dualities (for example, interchanging $`z`$\- and $`p`$-vector, but preserving $`v`$-vector) are considered in \[Li82\].

The medial graph $`Med(G)`$ of $`G`$ is defined on the set of edges of $`G`$ with two edges being adjacent if they share a common vertex and if they belong to a common face. The medial graph is $`4`$-valent and $`Med(G)=Med(G^{})`$. Zigzags of $`G`$ and $`G^{}`$ correspond to central circuits (see below) of $`Med(G)`$. Any $`4`$-valent plane graph $`H`$ is the medial graph for a pair of mutually dual plane graphs: one can assign two colors to the faces of $`H`$ in the “chess way”, such that no two adjacent faces of $`H`$ have the same color. Two faces of the same color are said to be adjacent if they share a vertex.

In general, a central circuit of an Eulerian (i.e., having only vertices of even degree) plane graph is a circuit, which is obtained by starting with an edge and continuing at each vertex by the edge opposite to the entering one. A link is one or more circles (components of a link) embedded into the space $`^3`$; a link with one component is called knot. A projection of a link is a drawing of it on the plane with gaps representing underpass and solid line representing overpass. If a drawing of a link has alternating underpasses and overpasses, then it is called alternating; so, we can see it just as a $`4`$-valent plane graph. We will consider only minimal projections, i.e., those without $`1`$-gons (loops). Clearly, each edge belongs to exactly one central circuit and any $`4`$-valent graph without $`1`$-gons can be seen as a minimal projection of an alternating link with components corresponding to its central circuits. Since zigzags in $`G`$ correspond to central circuits in $`Med(G)`$, each zigzag corresponds to a component of the corresponding alternating link. The bipartition of edges of a $`z`$-knotted graph into type I and type II corresponds to a bipartition of the vertices of its medial graph (which is a projection of an alternating knot).

Call a polyhedron two-faced if it has only $`a`$\- and $`b`$-gonal faces with $`3a<b6`$. In particular, denote $`3`$-valent two-faced $`n`$-vertex polyhedron by $`3_n`$, $`4_n`$, $`5_n`$ if $`(a,b)`$=$`(3,6)`$, $`(4,6)`$, $`(5,6)`$, respectively. Given two circuits $`u_1,\mathrm{},u_m`$ and $`v_1,\mathrm{},v_m`$, an $`m`$-sided prism $`Prism_m`$ is formed when every $`u_i`$ is joined to $`v_i`$ by an edge. Now, an $`m`$-sided antiprism $`APrism_m`$ is formed by adding the cycle $`u_1`$,$`v_2`$,$`u_2`$,$`v_3`$, …, $`v_m`$,$`u_m`$,$`v_1`$,$`u_1`$.

A point group is a finite subgroup of the group $`O(3)`$ of isometries of the space $`^3`$, fixing the origin. The connection with plane graphs come from representing them on the sphere centered at the origin. The list of point groups is splitted into two classes: the infinite families and the sporadic cases. Every point group $`G`$ contains a normal subgroup formed by the rotations of $`G`$. The group, denoted $`C_m`$, is the cyclic group of rotations by angle $`\frac{2\pi }{m}k`$ with $`0km1`$ around a fixed axis $`\mathrm{\Delta }`$. Both groups $`C_{mv}`$ and $`C_{mh}`$ contains $`C_m`$ as normal subgroups of rotations. The group $`C_{mh}`$ (respectively, $`C_{mv}`$) is the group, generated by $`C_m`$ and a symmetry of plane $`P`$, with $`P`$ being orthogonal to $`\mathrm{\Delta }`$ (respectively, containing $`\mathrm{\Delta }`$). The group $`D_m`$ is the group, generated by $`C_m`$ and a rotation by angle $`\pi `$, whose axis is orthogonal to $`\mathrm{\Delta }`$. The point group $`D_{mh}`$ (respectively, $`D_{md}`$) is generated by $`C_{mv}`$ and a rotation by angle $`\pi `$, whose axis is orthogonal to $`\mathrm{\Delta }`$ and contained in a plane of symmetry (respectively, going between two planes of symmetry). Both, $`D_{mh}`$ and $`D_{md}`$, contain $`D_m`$ as a normal subgroup. If $`N`$ is even, one defines the point group $`S_N`$ to be the cyclic group generated by the composition of a rotation by angle $`\frac{2\pi }{N}`$ with axis $`\mathrm{\Delta }`$ and a symmetry of plane $`P`$ with $`P`$ being orthogonal to $`\mathrm{\Delta }`$. The particular cases $`C_1`$, $`C_s`$ and $`C_i`$ correspond to the trivial group, the plane symmetry group and the central symmetry inversion group. The point groups $`T_d`$, $`O_h`$ and $`I_h`$ are the symmetry group of the Tetrahedron, Cube and Icosahedron; the point groups $`T`$, $`O`$ and $`I`$ are their normal subgroup of rotations. The point group $`T_h`$ is formed by all $`f`$ and $`f`$ with $`fT`$. More detailed description of point groups are available, for example, from \[FoMa95\] and \[D1\].

In Table 1, zigzag notions are illustrated by the regular and semiregular polyhedra (i.e., such that their symmetry group is transitive on vertices). This table is a slightly more precise version (indicating types of self-intersection of zigzags) of Table 1 of \[DHL02\]. It is easy to see that for self-intersecting zigzags of prisms and antiprisms, the self-intersections of type I, if any, occur on the edges of the two $`m`$-gons, while those of type II occur on other edges.

The notion of a zigzag was generalized to locally-finite infinite planar $`3`$-connected graphs. All such edge-transitive graphs without self-intersecting zigzags (i.e., simple circuits and doubly infinite rays are the only zigzags) were classified in \[GrSh87\]: these are the three regular partitions $`(6^3)`$, $`(3^6)`$, $`(4^4)`$ of the Euclidean plane, the Archimedean partition $`(\mathrm{3.6.3.6})`$, its dual and several infinities of partitions of the hyperbolic plane. Also the notion of zigzag (Petrie polygon) was extended in \[Cox73\] p. 223 for $`n`$-dimensional polytopes and honeycombs.

This paper is based on extensive computation; in particular:

* All computations used the GAP computer algebra system \[GAP\] and the package PlanGraph (\[D2\]) by the second author.
* The program CPF (\[Ha\]) by Harmuth was used to generate the graphs of type $`3_n`$ and $`4_n`$. In fact, the name $`n_x`$ for a graph indicates that a graph appears at $`x`$-th position in the output of CPF. Also, CaGe (\[CaGe\]) was used for graph drawings.
* For graphs of type $`5_n`$, we used also the face-spiral algorithm notation given in \[FoMa95\]; a computation by Brinkmann (\[Br97\]) was used in Table 7.

## 2 General results for plane graphs

###### Theorem 2.1

For any planar bipartite graph $`G`$ there exist an orientation of zigzags, with respect to which each edge has type I.

Proof. We represent the graph $`G`$ on the sphere. The list of vertices, adjacent to a given vertex, can be organized in counter-clockwise order.

Let the vertex-set $`V`$ be partitioned into the two subsets $`V_1`$ and $`V_2`$ of the bipartition. Fix a zigzag $`Z`$; it will turn left at vertices, say, $`vV_1`$ and right at vertices $`vV_2`$. It is easy to see that the edges of self-intersection of $`Z`$ can be only of type I.

Take another zigzag $`Z^{}`$, having a common edge $`e`$ with $`Z`$. We choose an orientation on $`Z^{}`$, such that $`e`$ is an edge of type I. Then $`Z^{}`$ will turn left at vertices $`vV_1`$ and right at vertices $`vV_2`$. Iterating this construction, all zigzags will be oriented and all edges will have type I with respect to this orientation of zigzags. $`\mathrm{}`$

In the case of one zigzag, this result was already known (\[Sh75\]). This theorem is also valid for any bipartite graph, which is embedded in an oriented surface, in view of the well-known topological fact that any two-dimensional orientable manifold admits coherent orientation of its faces.

###### Proposition 2.2

(\[DDF02\]) Let $`G`$ be a plane graph; for any orientation of all zigzags of $`G`$, we have:

(i) The number of edges of type II, which are incident to any fixed vertex, is even.

(ii) The number of edges of type I, which are incident to any fixed face, is even.

Proof. (i) For each vertex the number of times, that a zigzag enters it, should be equal to the number of times that a zigzag leaves it.

(ii) Passing to the dual graph, the type of edges are interchanged. $`\mathrm{}`$

A consequence of the above proposition for any $`3`$-valent plane graph $`G`$ (see \[DDF02\]) is that the set of vertices can be partitioned into two classes, say, class I and class II, where class I stands for vertices, which are incident to three edges of type I, and class II stands for vertices, which are incident to one edge of type I and two edges of type II. If $`n`$ denotes the number of vertices of $`G`$ and $`n_1`$ denotes the number of its vertices of class I, then the number of edges of type I is $`n_1+\frac{n}{2}`$. Clearly, the number of edges of type II is equal to the number of vertices of class II, i.e., to $`nn_1`$.

It was conjectured in (\[DDF02\]) that any $`3`$-valent plane graph, which is $`z`$-knotted, has an odd number of edges of type I. The condition of $`3`$-valency is necessary: for example, the $`3`$-bipyramid (i.e., $`Prism_3^{}`$) has $`z`$-vector $`18_{6,3}`$.

Clearly, any graph with $`1`$, $`2`$ or $`3`$ zigzags is $`z`$-balanced. See smallest $`z`$-unbalanced $`3`$-valent graph and graphs of type $`4_n`$, $`5_n`$ on Figure 2. We did computations trying to find an example of a $`z`$-unbalanced and $`z`$-uniform $`3`$-valent polyhedron (for $`n22`$), graph of type $`4_n`$ (for $`n250`$) and $`5_n`$ (for $`n80`$); surprisingly, we did not find any such example.

In the rest of this section, we give a local Euler formula for zigzags. Let $`G`$ be a plane $`3`$-valent graph. Consider a patch $`A`$ in $`G`$, which is bounded by $`t`$ arcs (i.e., paths of edges) belonging to zigzags (different or coinciding).

We admit also $`0`$-gonal patch $`A`$, i.e., just the interior of a simple zigzag. Suppose that the patch $`A`$ is regular, i.e., the continuation of any of its bounding arcs (on the zigzag, to which it belongs) lies outside of the patch (see Figure 3). Let $`p^{}(A)=(\mathrm{},p_i^{},\mathrm{})`$ be the $`p`$-vector enumerating the faces of $`G`$, which are contained in the patch $`A`$.

There are two types of intersections of arcs on the boundary of a regular patch: either intersection in an edge of the boundary, or intersection in a vertex of the boundary. Let us call these types of intersections obtuse and acute, respectively (see Figure 3); denote by $`t_{ob}`$ and $`t_{ac}`$ the respective number of obtuse and acute intersections. Clearly, $`t_{ob}+t_{ac}=t`$, where $`t`$ is the number of arcs forming the patch.

###### Theorem 2.3

Let $`G`$ be a $`3`$-valent plane graph ($`1`$-gonal and $`2`$-gonal faces are permitted). If $`A`$ is a regular patch, then the following equality holds

$$6t_{ob}2t_{ac}=\underset{i1}{}(6i)p_i^{}.$$

Proof. Let $`P(A)`$ be the induced plane subgraph of $`G`$ formed by the patch $`A`$. The vertices of $`P(A)`$ have degree $`2`$ or $`3`$; we denote their respective number by $`v_2`$ and $`v_3`$. The exterior face is $`l`$-gonal, where $`l`$ is the length of the boundary of the patch. Direct enumeration gives the following expressions for the number $`|E|`$ of edges of $`P(A)`$

$$|E|=\frac{1}{2}(3v_3+2v_2)=\frac{1}{2}(l+\underset{i1}{}ip_i^{}).$$

Euler’s formula, applied to the plane graph $`P(A)`$, yields

$$2=(v_2+v_3)|E|+(1+\underset{i1}{}p_i^{}).$$

The above two expressions of $`|E|`$ give

$$1=\frac{v_3}{2}+\underset{i1}{}p_i^{}=(v_2+v_3)\frac{l}{2}+\underset{i1}{}(1\frac{i}{2})p_i^{}.$$

Eliminating $`v_3`$ yields $`3=v_2\frac{l}{2}+_{i1}(3\frac{i}{2})p_i^{}.`$

For example, if the patch $`A`$ is a $`0`$-gon (i.e., if it is bounded by a simple zigzag), then $`l=2v_2`$ and we get

$$3=\underset{i1}{}(3\frac{i}{2})p_i^{}.$$

Denote by $`v_2^{}`$ and $`v_3^{}`$ the numbers of vertices on the boundary of $`A`$, having degree $`2`$ and $`3`$, respectively. Clearly, $`l=v_2^{}+v_3^{}`$ and $`v_2^{}=v_2`$.

Now we use that $`A`$ is a regular patch. Specifying acute and obtuse types of arc intersections on the boundary of $`A`$, we get $`v_2^{}=v_3^{}+t_{ob}+2t_{ac}`$, which gives $`6t_{ob}2t_{ac}=_{i1}(6i)p_i^{}.`$ $`\mathrm{}`$

###### Corollary 2.4

Let $`G`$ be a $`3`$-valent plane graph. Let $`A`$ be a $`t`$-gonal regular patch with $`p`$-vector $`(\mathrm{},p_i^{},\mathrm{})`$ in $`G`$. Then we have:

(i) If $`G`$ has no $`q`$-gonal faces with $`q>6`$, then $`t6`$.

(ii) If $`G`$ is a two-faced graph $`w_n`$, $`w\{3,4,5\}`$, then

$$6t_{ob}2t_{ac}=(6w)p_w^{}.$$

Proof. (i) By the above theorem

$$6t_{ob}2t_{ac}=\underset{1i6}{}(6i)p_i^{}0,$$

which gives the result. (ii) also follows by direct application of Theorem 2.3. $`\mathrm{}`$

## 3 Railroads and pseudo-roads

Let $`G`$ be a plane graph. Call a railroad of $`G`$ a circuit of hexagonal faces in $`G`$, such that each hexagon is adjacent to its neighbors on opposite edges (in \[GrünMo63\], a simple, i.e., without self-intersections, railroad is called a belt). Clearly, a railroad is bounded by two “parallel” (concentric if the railroad is simple) zigzags. The graph $`G`$ is called tight if it has no railroads. A railroad in $`G`$ corresponds to a central circuit in $`G^{}`$, which goes only through $`6`$-valent vertices.

We associate to each railroad a representing plane curve in the following way: in each of its hexagons one connects, by an arc, the midpoints of opposite edges, on which it is adjacent to its two neighbors. The sequence of those arcs can be seen as a Jordan curve in the plane and self-intersections of railroad correspond to self-intersections of the curve.

Those self-intersections can be only double or triple, because a railroad consists of hexagons. If the railroad has no triple self-intersection points, then this curve can be seen as a projection (not minimal, if there are $`1`$-gons) of an alternating knot (see, for example, \[Kaw96\] and \[Rol76\]) with $`n`$ crossings, where $`n`$ is the number of self-intersection points. If there are several railroads without triple intersections and triple self-intersections, then the set of plane curves, representing them, can be seen as a projection of an alternating link.

A set of railroads can be seen as a plane graph $`H`$ with valency $`4`$ or $`6`$ of its vertices, accordingly to double or triple points of intersection or self-intersection of the curves. Every $`t`$-gonal face $`F`$ of $`H`$ can be viewed as a regular patch with $`t`$ intersections of arcs. In the case, when $`G`$ has no $`q`$-gonal faces with $`q>6`$, Corollary 2.4.(i) implies that $`t6`$.

A railroad $`R`$ is bounded by two zigzags $`Z_1`$ and $`Z_2`$, which have the same length and signature. Each edge of self-intersection of $`Z_1`$, $`Z_2`$ corresponds to a self-intersection of $`R`$ and so, to an hexagon of self-intersection of $`R`$. Since $`Z_1`$ can self-intersect in an edge of type I or type II, there are two types of double self-intersections of railroad. Simple analysis yields two types for triple self-intersections of railroad: either $`Z_1`$ self-intersects in three edges of type I or it self-intersects in one edge of type I and two edges of type II. See Figure 4 for all possibilities.

In order to illustrate the notion of railroads, we give in the remainder of this section two lists: those having, or, respectively, not having, triple self-intersections of the curves representing railroads in two-faced $`n`$-vertex polyhedra of type $`4_n`$ for small $`n`$. In Tables 2 and 3, we present the first cases of such curves; the first column being the name of the curve. The smallest graph of type $`4_n`$, which is denoted by $`n_x`$, $`x`$ being the number of the graph in CPF output (see \[Ha\]), is listed in the column “First appearance”. In some cases the curve appears twice in this graph; we mark this situation by putting “twice” in parenthesis. The third and fourth column give the number $`m`$ of intersection points and the number $`p_i`$ of $`i`$-gons, $`1i6`$. Columns “Group” and “$`z`$-vector” give the point group and the $`z`$-vector of the corresponding graph of type $`4_n`$.

The computation of all railroads in the class of polyhedra $`4_n`$, $`n88`$, with at least two self-intersections, all being double self-intersections, produced a list of projections of alternating knots presented in Table 2. We use Rolfsen’s notation, see \[Rol76\], for knots with at most $`10`$ crossings and those of Thistlethwaite (\[Thi\]), for other knots. We denote by $`15_y`$ and $`18_y`$ the $`15`$\- and $`18`$-crossing alternating knots, appearing in a graph of type $`4_{80}`$, which are $`80_{29}`$ and $`80_{28}`$, respectively. (The knot $`15_y`$ comes from $`APrism_3`$ or from knot $`9_{40}`$ by inscribing consecutively $`3`$ or $`2`$ triangles, respectively.) All curves, representing railroads with triple self-intersections in the graphs $`4_n`$, with $`n142`$ are given in Table 3. The notation $`ij`$, given in first column, means that $`i`$ is the number of triple points of the curve and $`j`$ is order of appearance (amongst curves with $`i`$ triple points) in this table.

###### Remark 3.1

Let $`Z`$ be a zigzag of signature $`(\alpha _1,\alpha _2)`$ bounding a railroad $`R`$ with $`m_2`$ double and $`m_3`$ triple self-intersections. Then one has $`m_2+3m_3=\alpha _1+\alpha _2`$.

###### Proposition 3.2

Let $`G`$ be a simple polyhedron with $`p`$-vector $`p=(\mathrm{},p_i,\mathrm{})`$ and let $`G`$ be tight. Then the number of zigzags of $`G`$ is at most

$$\underset{i6}{}ip_i/2.$$

Proof. In fact, each zigzag has a non $`6`$-gonal face on each of its sides, since, otherwise, it would have a railroad on this side; so, the total number of incidences between zigzags and non $`6`$-gons is at least twice the number of zigzags. On the other hand, the number of those incidences is exactly $`_{i6}ip_i`$. $`\mathrm{}`$

###### Proposition 3.3

Let $`G`$ be a graph of type $`4_n`$, having railroads $`R_1`$, …, $`R_p`$; let $`H`$ be a plane graph formed by the curves representing those railroads. Then:

(i) Every $`t`$-gonal face of $`H`$ with $`t=0,1`$ contains exactly $`3`$-t $`4`$-gons of $`G`$; every $`2`$-gonal face of $`H`$ contains one or two $`4`$-gons of $`G`$.

(ii) If $`q_t`$ is the number of $`t`$-gonal faces of $`H`$, then one has the inequality

$$3q_0+2q_1+q_26.$$

Proof. Every $`t`$-gonal face $`F`$ of $`H`$ can be viewed as a regular patch with $`t=t_{ob}+t_{ac}`$ (obtuse and acute) intersections of arcs. Let $`p_4^{}`$ be the number of $`4`$-gons inside $`F`$. We will apply Theorem 2.3.

(i) If $`t=0`$, then $`2p_4^{}=6`$ and we are done. If $`t=1`$, then

$$2p_4^{}=6t_{ob}2t_{ac}4\text{ and }2p_4^{}=6t_{ob}2t_{ac}<6.$$

Since $`2p_4^{}`$ is even, we get that $`2p_4^{}=4`$, i.e., every $`1`$-gon contains exactly two $`4`$-gons. If $`t=2`$, then

$$2p_4^{}=6t_{ob}2t_{ac}2\text{ and }2p_4^{}=6t_{ob}2t_{ac}<6.$$

This yields $`p_4^{}=1`$ or $`p_4^{}=2`$.

(ii) Any graph of type $`4_n`$ has six $`4`$-gons; so, the result follows. $`\mathrm{}`$

The Euler formula for the $`p`$-vector of a $`3`$-valent polyhedron, $`12=_t(6t)p_t`$, is a discrete analog of the Gauss-Bonnet formula, $`2\pi (1g)=_SK(x)𝑑x`$, for the Gaussian curvature $`K`$ of a surface $`S`$ of genus $`g`$. So, the $`q`$-gons can be seen as positively curved, flat, or negatively curved, if $`q<6`$, $`q=6`$, or $`q>6`$, respectively.

Consider a two-faced graph $`G`$, which is a $`3_n`$, $`4_n`$ or $`5_n`$; it has four $`3`$-gons, six $`4`$-gons, or twelve $`5`$-gons, respectively. Let us call the graph of curvatures of $`G`$ the following graph (possibly, with loops and multiple edges) having as vertex-set all non $`6`$-gonal faces of $`G`$. Two vertices, say, non $`6`$-gonal faces $`b`$ and $`c`$ of $`G`$ are called adjacent if there exist a pseudo-road connecting faces $`b`$ and $`c`$. A pseudo-road is a sequence of hexagons, say, $`a_1`$, …, $`a_l`$, such that putting $`a_0=b`$ and $`a_{l+1}=c`$, we have that any $`a_i`$, $`1il`$, is adjacent to $`a_{i1}`$ and $`a_{i+1}`$ on opposite edges. Clearly, the graph of curvatures of a graph $`w_n`$, $`w\{3,4,5\}`$, is regular of degree $`w`$.

Given an hexagon in a graph of type $`3_n`$, $`4_n`$, $`5_n`$, any pair of opposite edges belongs to a railroad or a pseudo-road; so, we exactly have a triple covering of the set of all hexagons by the set of all railroads and pseudo-roads. Every non $`6`$-gonal face, i.e., $`t`$-gonal face with $`t<6`$, has $`t`$ adjacencies with the system of pseudo-roads.

For the special case, when our graph is of type $`4_n`$, any pseudo-road arriving on a $`4`$-gonal face can be extended on the opposite edge. So, the set of such extended pseudo-roads, together with the set of railroads, can be identified with the set of central circuits of the dual of our graph. Hence, extended pseudo-roads can be seen (in the same way as it was done for railroads) as projections of a Jordan curve on the plane with double and, eventually, triple points of self-intersection. Those notions are illustrated in Figure 6. This graph $`4_{126}(D_{3h})`$ has the following road decomposition: five concentric simple railroads (we indicate only the central, equatorial one), two self-intersecting railroads (they differ only by their opposite position on the sphere; we present only one of them) and all $`12`$ pseudo-roads.

## 4 Two-faced polyhedra

Remind that two-faced polyhedra have only $`a`$\- and $`b`$-gonal faces with $`3a<b6`$ (see \[DeGr99\]). Denote by $`p_a>0`$ and $`p_b0`$ the number of $`a`$-gonal and $`b`$-gonal faces.

Any $`3`$-valent $`n`$-vertex two-faced polyhedron has $`3n/2=(ap_a+bp_b)/2`$ edges and satisfies the Euler relation $`n3\frac{n}{2}+(p_a+p_b)=2`$, i.e., $`n=2(p_a+p_b2)`$ and $`p_a(6a)+p_b(6b)=12`$. So, $`b<6`$ is possible only for $`6`$ simple polyhedra with $`(a,b)=(3,4)`$($`Prism_3`$), $`(3,5)`$(Dürer’s Octahedron), $`(4,5)`$(four dual deltahedra). The other cases, namely, $`(a,b)=(3,6),(4,6),(5,6)`$ are denoted by $`3_n`$, $`4_n`$, $`5_n`$, where $`n`$ is the number of vertices. The polyhedra $`5_n`$ are the well known fullerenes (of Organic Chemistry). See Table 4 for all the possibilities. The criterion for the existence of the polyhedra of type $`3_n`$, $`4_n`$ and $`5_n`$ is due to \[GrünMo63\].

For the types $`3_n`$, $`4_n`$ and $`5_n`$ in Table 4 the case $`p_6=0`$ yields the Tetrahedron, the Cube and the Dodecahedron. Those three polyhedra, together with $`4`$ dual deltahedra and $`Prism_3`$, are the duals of the eight convex deltahedra. Dürer’s Octahedron is the Cube truncated at two opposite vertices. The four dual deltahedra from the fourth line of Table 4 are: $`Prism_5`$ (dual $`5`$-bipyramid), dual bisdisphenoid, dual $`3`$-augmented $`Prism_3`$, dual $`2`$-capped $`APrism_4`$. Those four dual deltahedra, preceded by the Dürer’s Octahedron and $`Prism_3`$, are given in Figure 7 with their $`z`$-vectors and groups.

###### Lemma 4.1

Any connected $`3`$-valent plane graph, having only $`q`$-gonal faces with $`3q6`$, is $`2`$-connected.

Proof. Let $`G`$ be one such graph and assume that there is one vertex $`v`$, such that $`G\{v\}`$ is disconnected. $`G\{v\}`$ has two or three components; clearly, it cannot have three components, since $`q6`$. Denote by $`C_1`$ and $`C_2`$ the two components and by $`e=\{v,v^{}\}`$ the edge linking $`C_1`$ to $`C_2`$. Then two edges from $`v`$ will connect to another vertex $`w`$ and two edges from $`v^{}`$ will connect to another vertex $`w^{}`$, since we assume that the faces are incident to at most $`6`$ edges. See below the corresponding drawing.

But the vertex $`w`$ will disconnect the graph and so, iterating the construction, we obtain an infinite sequence $`v_1`$, …, $`v_n`$ of vertices that disconnect $`G`$. This contradicts to initial assumption and proves that $`G`$ is $`2`$-connected. $`\mathrm{}`$

Denote by $`(G_n)_{n1}`$ the $`3`$-valent plane $`4(n+1)`$-vertex graph, whose faces are (organized in pairs of adjacent ones) triangles and hexagons. The graph $`G_n`$ is $`2`$-connected but not $`3`$-connected, its $`z`$-vector is $`4^{n+1},(4n+4)^2`$; its symmetry group is $`D_{2d}`$ or $`D_{2h}`$, if $`n`$ is even or odd, respectively. The first occurrences are depicted in Figure 8.

###### Proposition 4.2

Any $`3`$-valent plane graph having only $`q`$-gonal faces with $`3q6`$, is $`3`$-connected, except the graphs of the family $`(G_n)_{n1}`$.

Proof. Let $`G`$ be a $`3`$-valent plane graph with $`k`$-gonal faces, $`3k6`$ and assume that it is not $`3`$-connected. Then there are two vertices, say, $`v_1`$ and $`v_2`$, such that $`G\{v_1,v_2\}`$ is disconnected. If $`G\{v_1,v_2\}`$ has three components, then since $`q6`$, it is of the form depicted in Figure 9.a), which is impossible by the condition $`q3`$; so, $`G\{v_1,v_2\}`$ has two components, say, $`C_1`$ and $`C_2`$.

There are two edges, say, $`e_1=\{v_1,v_1^{}\}`$ and $`e_2=\{v_2,v_2^{}\}`$, that connect $`C_1`$ to $`C_2`$. Since $`G\{v_1,v_2\}`$ is disconnected, $`e_1`$ and $`e_2`$ are both incident to faces $`F`$ and $`F^{}`$. Then, by our assumption on size of faces, we get the following possibilities:

Only first two cases are possible, since, otherwise, we would have a non $`2`$-connected plane graph. See in Figure 9.b),c) the possible continuation of those graphs.

In case b) one obtain an infinite structure; so, we get again a contradiction.

Let us consider now the case c); the two points, $`w_1`$ and $`w_2`$, can, either be connected by an edge and we are done, or be non-connected, in which case $`w_1`$ and $`w_2`$ disconnect the graph. In the latter case, one can iterate the construction. Since the graph is finite, the construction eventually finish and we get a graph $`G_{n_0}`$, $`n_01`$. $`\mathrm{}`$

All graphs of type $`3_n`$, $`4_n`$, $`5_n`$ with maximal pair of symmetry ($`T`$ or $`T_d`$, $`O`$ or $`O_h`$, $`I`$ or $`I_h`$, respectively) are known; in fact, the Goldberg-Coxeter construction, denoted $`GC_{k,l}`$ (\[Cox71\], \[Gold37\], \[DD03\]), implies that any graph of this type $`3_n`$, $`4_n`$, $`5_n`$ and those symmetry are of the form $`GC_{k,l}(G_0)`$ with $`0lk`$ and $`G_0`$ being Tetrahedron, Cube or Dodecahedron, respectively. Those graphs have $`n_0(k^2+kl+l^2)`$ vertices with $`n_0=4`$, $`8`$ or $`20`$, respectively. Those graphs are tight if and only if $`gcd(k,l)=1`$; they are of symmetry $`T_d`$, $`O_h`$ or $`I_h`$ if and only if $`l=0`$ or $`k=l`$.

The polyhedra dual to the $`3`$-valent polyhedra without $`q`$-gonal faces, $`q>6`$, are studied in \[Thur98\]; they are called there non-negatively curved triangulations (actually, the reference \[Sah94\] is an application of a preliminary version of \[Thur98\]). Theorem 3.4 in \[Sah94\] implies that $`N_3(n)=O(n)`$, $`N_4(n)=O(n^3)`$ and $`N_5(n)=O(n^9)`$, where $`N_w(n)`$ denotes the number of polyhedra $`w_n`$ for $`w=3,4,5`$, respectively.

## 5 Polyhedra $`3_n`$

We present in Table 5 the numbers $`N_3(n)`$ of $`3_n`$ and the numbers $`N_3^t(n)`$ of tight $`3_n`$ for $`n512`$.

In \[GrünMo63\] it was shown that each zigzag in a graph of type $`3_n`$ is simple and a general construction of all $`3_n`$ was given; we sketch this construction with slightly different notation. If a zigzag contains two edges, say, $`e_1`$ and $`e_2`$, of a triangle, then its third edge, say, $`e_3`$ defines a pseudo-road $`PR`$ that finish on another triangle. Denote by $`s`$ one fourth of the length of the zigzag; then $`s1`$ is the number of hexagons of $`PR`$. Consider the sequence of concentric simple railroads, which, possibly, goes around the patch depicted in Figure 10; let $`m`$ denote the number of zigzags and $`m1`$ be the number of corresponding railroads. The same patch (with the same number $`s1`$ of hexagons between the other two triangles and with the same number $`m1`$ of concentric simple railroads, going around it) occurs on the other side of the sphere. As in \[GrünMo63\], we get, by direct computation, the equality $`p_6=2(sm1)`$ and $`n=4sm`$, where $`p_6`$ is the number of hexagons. See Figure 11.c),d) for two examples with $`s=2`$ and $`m=4`$.

Take a triangle $`T`$ and an edge $`e`$ of this triangle; $`e`$ belongs to a sequence of adjacent $`6`$-gons, which is concluded by another triangle $`T^{}`$. If one considers the three edges $`e_1`$, $`e_2`$, $`e_3`$, then we obtain three triangles $`T_1`$, $`T_2`$, $`T_3`$, respectively, that may be distinct or not.

###### Theorem 5.1

Any graph $`3_n`$ has exactly one of the following forms:

(i) The Tetrahedron or the Truncated Tetrahedron (the only case, when an hexagon is adjacent to more than two triangles).

(ii) There are two hexagons, every of which is adjacent to two triangles on opposite edges; there are one or two such graphs of type $`3_n`$ depending on $`n8(mod16)`$ or $`n0(mod16)`$, respectively. Their symmetry groups are, respectively, $`D_2`$ if $`n8(mod16)`$ and $`D_{2h}`$, $`D_{2d}`$ if $`n0(mod16)`$.

(iii) There are four hexagons (in two adjacent pairs), every of which is adjacent to two triangles on non-opposite and non-adjacent edges; there is exactly one such graph $`3_n`$ for every $`n16`$, $`n0(mod4)`$.<sup>4</sup><sup>4</sup>4In the exceptional case $`n=16`$, there are only two polyhedra $`3_{16}`$: the Cube truncated at four non-adjacent vertices and the Cube truncated at four vertices of two opposite edges. The second polyhedron is the unique and only example, which is of type (ii) and (iii). The symmetry group is $`D_{2h}`$ or $`D_{2d}`$ if $`\frac{n}{4}`$ is even or odd, respectively.

(iv) Each hexagon is adjacent to at most one triangle; there is an one-to-one correspondence between such graphs $`3_n`$, having isolated triangles, and IPT fullerenes $`5_n`$ (i.e., those having their $`12`$ pentagons organized in $`4`$ triples of mutually adjacent ones).

Proof. For given graph $`G`$ of type $`3_n`$, denote by $`t(G)`$ the maximal number of triangles, which are adjacent to a hexagon. The only graph of type $`3_n`$ without hexagons is the Tetrahedron. The case $`t(G)=4`$ corresponds to the $`2`$-connected but not $`3`$-connected $`6`$-vertex plane graph $`G_1`$ (see Figure 8). The only graph of type $`3_n`$ with $`t(G)=3`$ is the Truncated Tetrahedron. If $`t(G)=2`$, then two cases occur: either two triangles are adjacent to an hexagon on opposite edges or they are adjacent to an hexagon on non-opposite and non-adjacent edges.

The first case corresponds to the case $`s=2`$ of the Grünbaum-Motzkin construction. The divisibility of $`n`$ by $`8`$ follows from the formula $`n=4sm`$. At the last step of the Grünbaum-Motzkin construction, namely, after adding railroads, we add a pair of triangles in one of two possible ways. If $`n8(mod16)`$, then both ways give isomorphic graphs, both of symmetry $`D_2`$, for $`n8`$ (see Figure 11.b), for this possibility). If $`n0(mod16)`$, then we get two non-isomorphic graphs, one of symmetry $`D_{2h}`$, the other of symmetry $`D_{2d}`$ (see Figure 11.c),d) for those two possibilities).

Let our graph be of type (iii), i.e., two hexagons $`H_1`$, $`H_2`$ are adjacent to two triangles $`T_1`$, $`T_2`$ on non-opposite and non-adjacent edges, as in the picture below.

These two hexagons $`H_1`$, $`H_2`$ are adjacent, respectively, to two hexagons $`H_1^{}`$, $`H_2^{}`$. By replacing the patch $`H_1`$, $`H_2`$, $`T_1`$, $`T_2`$ by two triangles, one gets a graph $`3_{n4}`$, which is also of type (iii). By induction, one gets, for any $`n0(mod4)`$ with $`n16`$, an unique graph. A graph of type (iii) has two pairs of hexagons, each pair being adjacent to two triangles; if one does the operation, depicted above, to the two pairs, then the symmetry group remains the same. So, one has a periodicity of order $`8`$ for the symmetry groups and the result on groups follows.

If the graph has $`t(G)=1`$, then the operation, depicted in picture below, on all triangles realize a one-to-one correspondence. $`\mathrm{}`$

See Figure 11.a),c),d) for all graphs $`3_{32}`$ having hexagons adjacent to two triangles.

###### Proposition 5.2

The graph of curvatures of a $`3_n`$ is one of the three following $`4`$-vertex graphs:

Proof. Take a triangle, say, $`T_1`$ and an edge $`e_1`$ of $`T_1`$. The pseudo-road, which is defined by $`T_1`$ and $`e_1`$, establishes an edge between $`T_1`$ and, say, $`T_2`$; this pseudo-road is bounded by one zigzag $`Z_1`$. This zigzag belongs to a sequence of $`m`$ concentric zigzags $`Z_1,Z_2,\mathrm{},Z_m`$. The zigzag $`Z_m`$ defines a pseudo-road between the remaining triangles $`T_3`$ and $`T_4`$, i.e., an edge connecting $`T_3`$ to $`T_4`$ in the graph of curvatures. Since any vertex of the graph of curvatures has degree $`3`$, we are done. $`\mathrm{}`$

###### Conjecture 5.3

The graph of curvatures of any tight graph of type $`3_n`$ is as in the first case of Theorem 5.2.

Fix a graph $`G`$ of type $`3_n`$. Denote by $`T_i`$, $`1i4`$, the triangles in $`G`$, by $`(e_i)_{1i3}`$ the edges of $`T_1`$, by $`PR_i`$ the pseudo-road defined by $`T_1`$, $`e_i`$ and by $`(4s_i)_{1i3}`$ the lengths of corresponding zigzags. Without loss of generality, we can suppose that $`s_1s_2s_3`$. Denote by $`m_11`$, $`m_21`$, $`m_31`$, respectively, the corresponding number of concentric railroads around each of three patches. Denote by $`Z_{i,k}`$, where $`1i3`$ and $`1km_i`$, the zigzags of $`G`$.

###### Theorem 5.4

For a graph $`G`$ of type $`3_n`$, the following properties hold:

(i) Its $`z`$-vector is $`(4s_1)^{m_1},(4s_2)^{m_2},(4s_3)^{m_3}`$; the number of railroads is $`m_1+m_2+m_33`$.

(ii) $`G`$ has at least three zigzags with equality if and only if it is tight.

(iii) If $`G`$ is tight, then $`z(G)=n^3`$ (so, each zigzag is a Hamiltonian circuit).

(iv) $`G`$ is $`z`$-balanced and $`|Z_{i,k}Z_{j,l}|=\{\begin{array}{ccc}0\hfill & \text{ if }& i=j,\hfill \\ \frac{n}{2m_im_j}\hfill & \text{ if }& ij.\hfill \end{array}`$.

Proof. If $`Z`$ is a fixed zigzag of $`G`$, then it belongs to a sequence of $`m_i`$ concentric zigzags of a patch defined by two triangles and a pseudo-road. (i) follow immediately; (ii) is a corollary of (i), since $`G`$ is tight if and only if all $`m_i`$ are equal to $`1`$.

Let $`G`$ be a tight $`3_n`$; the formula $`n=4sm`$ becomes $`n=4s_1=4s_2=4s_3`$. So, $`z=n^3`$.

Clearly, any two zigzags $`Z_{i,k}`$ and $`Z_{j,l}`$ are disjoint if $`i=j`$. Moreover, the size of the intersection $`Z_{i,k}Z_{j,l}`$ depends only on $`i`$ and $`j`$. Denote by $`\beta _{ij}`$ the size of the pairwise intersections $`|Z_{i,1}Z_{j,1}|`$. We obtain the linear system

$$\{\begin{array}{ccc}\hfill 4s_1& =& \beta _{13}m_3+\beta _{12}m_2\hfill \\ \hfill 4s_2& =& \beta _{23}m_3+\beta _{12}m_1\hfill \\ \hfill 4s_3& =& \beta _{23}m_2+\beta _{13}m_1\hfill \end{array},$$

which has the unique solution $`\beta _{ij}=\frac{n}{2m_im_j}`$. If one writes this intersection size as $`8s_is_j/n`$, then it is easy to see that $`G`$ is $`z`$-balanced. $`\mathrm{}`$

###### Theorem 5.5

All graphs of type $`3_n`$ are tight if and only if $`\frac{n}{4}`$ is prime.

Proof. Assume that $`\frac{n}{4}`$ is prime; let $`G`$ be a graph $`3_n`$ with parameters $`s_i`$, $`m_i`$ defined before Theorem 5.4. If $`\frac{n}{4}=s_im_i`$, then either $`s_i=1`$, or $`m_i=1`$. The first case corresponds to a $`2`$-connected but not $`3`$-connected plane graph; so, $`m_1=m_2=m_3=1`$ and $`G`$ has no railroad. The second case $`m_i=1`$ means also the absence of a railroad.

Assume that $`\frac{n}{4}`$ is not prime; if $`n=4pq`$ for $`q>1`$, then, using the Grünbaum-Motzkin construction, we can construct a graph of type $`3_n`$ with a system of $`q>1`$ concentric zigzags of length $`4p`$ and so, with at least $`q11`$ railroads. $`\mathrm{}`$

###### Remark 5.6

In Table 5, the number of graphs of type $`3_n`$ for prime $`\frac{n}{4}`$ is a non-decreasing function.

###### Theorem 5.7

There exists a tight graph $`G`$ of type $`3_n`$ if and only if $`\frac{n}{4}`$ is odd.

Proof. The unique (for every integer $`\frac{n}{4}4`$) graph, defined in Theorem 5.1 (iii), is tight if $`\frac{n}{4}`$ is odd; we represent this graph in Figure 12.a) for $`n=28`$.

Suppose now that $`\frac{n}{4}`$ is even and that $`G`$ is tight. We will use the necessary conditions of Theorem 5.4 to get a contradiction.

Consider the patch, formed by a pseudo-road $`PR`$ between two triangles, say, $`T_1`$ and $`T_2`$. Since $`G`$ is assumed to be tight, there are $`\frac{n}{4}1`$ hexagons in $`PR`$. Moreover, since there are no railroads, any of the remaining two triangles $`T_3`$ and $`T_4`$ will be adjacent to the hexagons of $`PR`$. Let $`i`$ be the position of $`T_3`$ in $`PR`$. The choice of position for $`T_3`$ and $`T_4`$ determines our graph of type $`3_n`$; so, we need to show that every choice of $`i`$ leads to a non-tight graph $`3_n`$. If we find a shorter pseudo-road, then we are done.

Define a pseudo-road $`PR^{}`$ by starting with $`T_1`$ and taking the upper edge if $`i`$ is even and the lower edge if $`i`$ is odd (see Figure 12.b)). $`PR^{}`$ intersects with $`PR`$. From the choice of $`PR^{}`$, the position $`p`$ of the first hexagon of intersection, of $`PR^{}`$ with $`PR`$, satisfies $`p0(mod4)`$. Moreover, all positions of hexagons of intersection satisfy this condition. So, $`PR^{}`$ is shorter than $`\frac{n}{4}1`$ and the graph is not tight. $`\mathrm{}`$

The list of all symmetry groups of graphs $`3_n`$ is known (see \[FCS88\]); they are (with their first appearance): $`D_2(24_2)`$, $`D_{2h}(16_1)`$, $`D_{2d}(20_1)`$, $`T(28_2)`$, $`T_d(4_1)`$ (see \[D1\] for the corresponding drawings).

For the point groups $`D_2`$, $`D_{2d}`$ and $`D_{2h}`$, we have the following conjecture, which we checked for $`n500`$.

###### Conjecture 5.8

(i) $`3_n(D_{2h})`$ exists if and only if $`\frac{n}{4}`$ is even and $`n16`$; there are no tight $`3_n(D_{2h})`$.

(ii) $`3_n(D_{2d})`$ exists if and only if, either $`\frac{n}{4}`$ is odd and $`n20`$, or $`\frac{n}{8}`$ is even and $`n24`$; the graph defined in Theorem 5.1 (iii) is unique $`3_n(D_{2d})`$ tight graph if $`\frac{n}{4}`$ is odd and $`n20`$.

(iii) $`3_n(D_2)`$ exists if and only if $`n24`$ and $`n28,32`$; tight $`3_n(D_2)`$ exists if and only if $`\frac{n}{4}`$ is odd, $`n44`$ and $`n60,84`$; there are $`i`$ tight $`3_n(D_2)`$ starting with $`\frac{n}{4}=6i+5`$ for $`1i9`$, except the case $`i=5`$ starting with $`\frac{n}{4}=37`$.

## 6 Polyhedra $`4_n`$

Since any graph of type $`4_n`$ is bipartite, we can apply Theorem 2.1: all self-intersections of every zigzag are of type I. Moreover, there exists an orientation of zigzags, with respect to which each edge has type I. We will always work with such orientation. Any self-intersection, double or triple, of railroad is of type I (see Figure 4).

We present in Table 6 the numbers $`N_4(n)`$ of $`4_n`$ and the numbers $`N_4^t(n)`$ of tight $`4_n`$ for $`n260`$.

###### Conjecture 6.1

(i) $`z`$-knotted $`4_n`$ exists if and only if $`n30`$, $`n2(mod4)`$.

(ii) Tight $`4_n`$ exists if and only if $`n8`$, $`n10,14`$.

(iii) Every tight $`4_n`$ has at most eight zigzags.

###### Theorem 6.2

All symmetry groups of $`4_n`$ (with their first appearance) are $`C_1(40_4)`$, $`C_s(34_2)`$, $`C_2(26_1)`$, $`C_i(140_{12})`$, $`C_{2v}(22_1)`$, $`C_{2h}(44_7)`$, $`D_2(24_2)`$, $`D_3(20_1)`$, $`D_{2d}(16_1)`$, $`D_{2h}(20_2)`$, $`D_{3d}(20_3)`$, $`D_{3h}(14_1)`$, $`D_6(84_{42})`$, $`D_{6h}(12_1)`$, $`O(56_{17})`$, $`O_h(8_1)`$.

Proof. Let $`G`$ be a graph of type $`4_n`$ and let $`r`$ be a rotation of $`G`$ of order $`k`$. By definition of a graph $`4_n`$, one has $`k=2`$, $`3`$, $`4`$ or $`6`$.

If $`k=6`$, then the axis of $`r`$ goes through two hexagons, say, $`H_1`$ and $`H_2`$. Consider around $`H_1`$ the ring of hexagons adjacent to it; then, after adding $`p`$ such concentric rings of hexagons, one will encounter a square and so, by $`6`$-fold symmetry, all squares of $`G`$. One can then complete, in a unique way, the graph by adding the same number of rings of hexagons on the other side of the sphere. This construction implies the existence of rotations of order two passing through opposite squares and middles of consecutive squares. This implies symmetry $`D_6`$ or $`D_{6h}`$.

If $`k=4`$, then the axis of $`r`$ goes through two squares, say, $`sq_1`$ and $`sq_2`$. After adding $`p`$ rings of hexagons around $`sq_1`$, one finds a square and so, by symmetry, four squares, say, $`sq_3`$, …, $`sq_6`$. One can complete the graph in a unique way; from the construction it is clear that there is a $`4`$-fold axis through $`sq_3`$. So, the group is $`O`$ or $`O_h`$.

If $`k=3`$, then the axis of $`r`$ goes, either through one vertex, or one hexagon. After adding $`p`$ rings of hexagons around this center, one finds three squares; then, adding $`q`$ rings of hexagons, one finds the three other squares. The patch, formed by those six squares and the $`q`$ rings of hexagons, has an additional symmetry, formed by exchanging the two triples of squares. So, $`G`$ has this symmetry too and the symmetry group is $`D_3`$, $`D_{3h}`$, or $`D_{3d}`$.

Assume that $`G`$ has symmetry $`S_4`$. The six squares are partitioned in one orbit of two squares, say, $`sq_1`$ and $`sq_2`$, and another of four squares. The $`2`$-fold axis goes through $`sq_1`$ and $`sq_2`$; moreover, if one consider the four pseudo-roads $`PR_i`$ from $`sq_1`$, then all of them stop at $`sq_2`$. Consider the patch $`P`$ formed by $`PR_1`$ and $`PR_2`$. This patch has two acute angles; so, by Theorem 2.3, it contains exactly one square $`sq`$. We will show that $`sq`$ is in the plane, defined by $`sq_1`$ and $`sq_2`$, which will prove that there is a plane of symmetry for $`G`$. If $`sq`$ is next to $`PR_1`$ and $`PR_2`$, then their length is two and the result holds; otherwise, by removing some hexagons, we find a smaller patch with the same property and we conclude by induction.

The above reasonings yield the following list of possibilities: $`C_1`$, $`C_s`$, $`C_2`$, $`C_i`$, $`C_{2v}`$, $`C_{2h}`$, $`D_2`$, $`D_3`$, $`D_{2d}`$, $`D_{2h}`$, $`D_{3d}`$, $`D_{3h}`$, $`D_6`$, $`D_{6h}`$, $`O`$, $`O_h`$. For every such group, there is a graph of type $`4_n`$ with $`n140`$ having this symmetry; their pictures are available from \[D1\]. $`\mathrm{}`$

A similar study of point groups for $`4`$-valent plane graphs was done in \[DDS\].

###### Theorem 6.3

Every tight $`4_n`$ has at most $`9`$ zigzags.

Proof. Let $`G`$ be a tight $`4_n`$ with zigzags $`Z_1`$, …, $`Z_l`$. We obtain $`2l`$ sides, since every zigzag has two sides. A side $`S`$ is called lonely if it is incident to exactly one square $`sq`$. We can define a pseudo-road $`PR`$, parallel to $`S`$, which will begin and finish on $`sq`$. On the other side of the pseudo-road, there will be a side $`S^{}`$ of a zigzag $`Z^{}`$, which will be incident two times to $`sq`$. Moreover, if $`S^{}`$ is incident exactly two times to $`sq`$, then it defines another lonely side $`S^{\prime \prime }`$ (see Figure 13.b)).

Call $`n_{1a}`$ the number of lonely sides in first case and $`n_{1b}`$ the number of lonely sides in second case. Also call $`n_2`$ the number of sides incident to exactly two squares (identical or not) and $`n_3`$ the number of sides incident to at least three squares (identical or not). Obviously, $`l=\frac{1}{2}(n_{1a}+n_{1b}+n_2+n_3)`$.

In case a) of lonely side, $`S^{}`$ is incident to at least three squares; so, $`n_{1a}n_3`$, while in case b) $`S^{}`$ is incident exactly two times to $`sq`$; so, $`n_{1b}n_2`$. Every square $`sq`$ can be incident to $`0`$, $`1`$ or $`2`$ lonely sides; so, one has the inequality $`n_{1a}+\frac{n_{1b}}{2}6`$. By an enumeration of incidences, one gets $`n_{1a}+n_{1b}+2n_2+3n_34\times 6=24`$. The $`4`$-dimensional polyhedron defined by above inequalities and non-negativity inequalities $`n_{1a},\mathrm{},n_30`$ is denoted by $`𝒫`$. We can maximize the linear function $`\frac{1}{2}(n_{1a}+n_{1b}+n_2+n_3)`$ over $`P`$ using the cdd program (see \[Fu\]) and obtain the upper bound $`9`$, which is attained for the unique $`4`$-uple $`(n_{1a},n_{1b},n_2,n_3)=(0,12,6,0)`$. $`\mathrm{}`$

The following theorem is in sharp contrast with Theorem 5.4(iv) for graphs $`3_n`$ and Theorem 7.1 for graphs $`5_n`$.

###### Theorem 6.4

The intersection of every two simple zigzags of a graph of type $`4_n`$, if non-empty, has one of the following forms (and so, its size is $`2`$, $`4`$ or $`6`$).

Proof. Define the graph $`H`$ as the graph, whose vertices are edges of intersection between simple zigzags $`Z`$ and $`Z^{}`$, with two vertices being adjacent if they are linked by a path belonging to one of $`Z`$, $`Z^{}`$. The graph $`H`$ is a plane $`4`$-valent graph and $`Z`$, $`Z^{}`$ define two central circuits in $`H`$. Since $`Z`$ and $`Z^{}`$ are simple, the faces of $`H`$ are $`t`$-gons with even $`t`$.

Applying Theorem 2.3 to a $`t`$-gonal face $`F`$ of $`H`$, we obtain that the number $`p_4^{}`$ of $`4`$-gons in $`F`$ satisfies $`6t_{ob}2t_{ac}=2p_4^{}`$ . So, the numbers $`t_{ob}`$ and $`t_{ac}`$ are even, since $`t=t_{ob}+t_{ac}`$. Also, $`6t_{ob}2t_{ac}0`$. So, $`t6`$.

We obtain the following five possibilities for the faces of $`H`$: $`2`$-gons with two acute angles, $`2`$-gons with two obtuse angles, $`4`$-gons with four obtuse angles, $`4`$-gons with two acute and two obtuse angles, $`6`$-gons with six obtuse angles.

Take an edge $`e`$ of a $`6`$-gon in $`H`$ and consider the sequence (possibly, empty) of adjacent $`4`$-gons of $`H`$ emanating from this edge. This sequence will stop at a $`2`$-gon or a $`6`$-gon; the case-by-case analysis of angles yields that this sequence has to stop at a $`2`$-gon (see Figure 14.a)).

Take an edge of a $`2`$-gon in $`H`$ and consider the same construction. If the angles are both obtuse, then the construction is identical and the sequence will terminate at a $`2`$-gon or a $`6`$-gon. If the angles are both acute, then cases b), c) of Figure 14 are possible.

In the first case, all $`4`$-gons contain two obtuse angles and two acute angles; so, the pseudo-road finishes with an edge of two obtuse angles. In the second case, there is a $`4`$-gon, whose angles are all obtuse; this $`4`$-gon is unique in the sequence and its position is arbitrary. Every pair of opposite edges of a $`4`$-gon belongs to a sequence of $`4`$-gons considered above. So, all angles of a $`4`$-gon are the same, i.e., obtuse. This fact restricts the possibilities of intersections to the three cases of the theorem. $`\mathrm{}`$

###### Corollary 6.5

The only tight $`4_n`$, having only simple zigzags, are the Cube and the Truncated Octahedron.

Proof. By Theorem 6.4, every two simple zigzags intersect in at most six edges. Since, by Theorem 6.3, there are at most $`9`$ zigzags, we obtain the upper bound $`(91)6=48`$ on the length of every zigzag. This yields the upper bounds $`\frac{9}{2}48=216`$ on the number of edges of $`G`$ and $`\frac{2}{3}216=144`$ on the number of its vertices. But, our exhaustive computation in this range of values gave the Cube and the Truncated Octahedron as the only solutions. $`\mathrm{}`$

## 7 Polyhedra $`5_n`$

Zigzag structure of fullerenes was studied in \[DDF02\], for which present paper is a follow-up. Here, we add only several observations.

The smallest $`z`$-unbalanced fullerenes $`5_n`$ with only simple zigzags are $`5_{108}(D_{2d})`$ and $`5_{144}(D_3)`$ with $`z`$-vectors $`24^8`$, $`26^4`$, $`28`$ and $`28^{12}`$, $`32^3`$, respectively. Any $`z`$-uniform or tight $`5_n`$, having only simple zigzags, with $`n200`$ is $`z`$-balanced.

Table 7 gives all tight $`5_n`$, $`n200`$, with simple zigzags; we conjecture that this list is complete. Apropos, amongst the $`9`$ fullerenes of Table 7 only $`5_{60}(I_h)`$, $`5_{88}(T)`$, $`5_{140}(I)`$ have $`12`$ isolated pentagons, and only $`5_{76}(D_{2d})`$ has $`6`$ isolated pairs of adjacent pentagons.

It was conjectured in \[DDF02\] that for any even $`n20`$, $`n22`$, there exists a tight $`5_n`$. Moreover, we could not find a tight graph $`5_n`$ with more than $`15`$ zigzags.

The list of all symmetry groups of fullerenes $`5_n`$ is known (see \[FoMa95\]); they are (with their first appearance): $`C_1(36_3)`$, $`C_2(32_1)`$, $`C_i(56_{314})`$, $`C_s(34_2)`$, $`C_3(40_{30})`$, $`D_2(28_1)`$, $`S_4(44_{82})`$, $`C_{2v}(30_2)`$, $`C_{2h}(48_{80})`$, $`D_3(32_6)`$, $`S_6(68_{6263})`$, $`C_{3v}(34_6)`$, $`C_{3h}(62_{2334})`$, $`D_{2h}(40_{33})`$, $`D_{2d}(36_6)`$, $`D_5(60_{1794})`$, $`D_6(72_{11144})`$, $`D_{3h}(26_1)`$, $`D_{3d}(32_3)`$, $`T(44_{73})`$, $`D_{5h}(30_1)`$, $`D_{5d}(40_1)`$, $`D_{6h}(36_{15})`$, $`D_{6d}(24_1)`$, $`T_d(28_2)`$, $`T_h(92_{126311})`$, $`I(140_x)`$, $`I_h(20_1)`$.

There exist fullerenes admitting railroads with triple self-intersection; see, for example, Figure 15.a). More generally, we believe that any curve, which represents a railroad in a graph of type $`4_n`$, also appears as a curve representing a railroad in some $`5_n^{}`$.

###### Theorem 7.1

For any even number $`h2`$, there exists a fullerene $`5_n`$, with $`n=18h8`$, having two simple zigzags intersecting in exactly $`h`$ edges. It has symmetry $`T_d`$ if $`h=2`$ and $`D_{2h}`$, $`D_{2d}`$ if $`\frac{h}{2}`$ is even, odd respectively.

Proof. For any even $`h2`$ there exist a unique $`h`$-vertex $`4`$-valent plane graph $`H`$, whose faces are four $`2`$-gons (in two pairs of adjacent ones) and $`\frac{h}{2}2`$ $`4`$-gons only, and having two simple central circuits (see \[DeSt02\]). This graph has symmetry $`D_{4h}`$ for $`h=2,4`$ and, for larger values, symmetry $`D_{2h}`$, $`D_{2d}`$ if $`\frac{h}{2}`$ is even, odd respectively.

We will identify each of the two central circuits of $`H`$ with simple zigzags, $`Z_1`$ and $`Z_2`$, and each vertex with an edge of intersection between them. Every face of $`H`$ can be seen as a patch in the graph $`5_n`$ which we will construct, and so, the local Euler formula (2.3) can be applied. Fix a face $`F`$ of $`H`$; one can assign to every angle of $`F`$ an angle (obtuse or acute), so that every $`2`$-gon has one acute and one obtuse angle, while every $`4`$-gon has two obtuse and two acute angles. See below the graph for the first values of $`h`$.

So, $`2`$-gonal patches will contain three pentagons, while $`4`$-gonal patches will contain only hexagons. We replace $`2`$\- and $`4`$-gonal faces of $`H`$ by patches depicted below.

The obtained graph has $`9(h2)+4`$ hexagonal faces, and so, $`n=18h8`$ vertices. The symmetry group is the same as the one of $`H`$, except for the first values $`h=2,4`$. See Figure 15.b) for the corresponding graph with $`h=8`$. $`\mathrm{}`$


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# Quantum chaos and fractals with atoms in cavities

## 1 Introduction

The correspondence between quantum and classical worlds has been a subject of much interest from the early days of quantum mechanics. The emergence of classical dynamical chaos from quantum mechanics is one of the most debated problem in this field . Isolated and bounded quantum systems do not show sensitive dependence on initial conditions in the same way as classical systems due to discreteness of quantum phase space and lacking of notion of trajectories in quantum mechanics. The Schrödinger equation for an isolated quantum system demonstrates only (quasi)periodic solutions even if the classical counterpart of the quantum system under consideration would be chaotic. However, it is valid only if the quantum system is assumed to be absolutely isolated from the surroundings.

In this paper, we study the temporal evolution of the strongly coupled atom-field system consisting of a single two-level atom interacting with a single mode of the quantized field in a standing-wave ideal cavity without any leakage of photons. If the atom is assumed to be at rest the respective Jaynes – Cummings Hamiltonian is known to be integrable in the rotating-wave approximation both under fully quantum and semiclassical descriptions . If the atom moves with a constant velocity (the Raman – Nath approximation) in the direction along which the coefficient of the atom-field coupling is changed (say, periodically) the semiclassical evolution of the expectation values of the atomic and field operators has been shown to be chaotic  with positive values of the maximal Lyapunov exponent in respective ranges of control parameters. The same time-periodic Hamiltonian has been shown to generate quasiperiodic solutions of the respective time-dependent Schrödinger equation for the probability amplitudes . The Jaynes – Cummings system possesses two degrees of freedom, the electronic (internal) atomic one and the field one. In fact, when emitting and absorbing photons, an atom not only changes its internal state but its velocity is changed as well due to the photon recoil. It is a pronouncing effect with cold atoms in a laser field (see for a review, for example, ). Taking into account the translational (external) atomic degree of freedom, we get the autonomous Hamiltonian (1) with three degrees of freedom. The respective semiclassical equations of motion for the expectation values of the atomic position and momentum operators, the atomic population operator, and the combined atom-field operators have been shown to be chaotic  with positive values of the maximal Lyapunov exponent. The semiclassical atom-field dynamics has been shown to demonstrate many interesting features, including the interaction of nonlinear resonances , atomic fractals , Lévy flights and anomalous atomic diffusion , and the Doppler – Rabi resonance .

In this paper, we go further in quantizing the atom-photon interaction in a standing-wave cavity. The field and internal atomic degrees of freedoms are treated as fully quantum ones obeying the Schrödinger equation. They are coupled to the external atomic degree of freedom obeying the Hamilton equations. Such a quantum-classical hybrid may be considered as a reality-based model of interaction between a quantum system and the surroundings. From the standpoint of dynamical system theory, the hybrid is described by an infinite-dimensional set of nonlinear ODE’s with an infinite number of integrals of motion with clear physical meanings (see Eqs. (18) – (21)). Any state of the quantized field may be represented as a superposition of a number of the so-called Fock states $`|n\mathrm{}`$, where $`n`$ is the number of photons in the respective state. Any state of a two-level atom is a superposition of its ground and excited states. The Hilbert space of the quantized atom-field subsystem (which should be treated as a whole unity) is an infinite direct sum of two-dimensional subspaces in each of which the so-called number of excitations should be conserved in the process of evolution. The atom-field quantized subsystem evolves in such a way that transitions, belonging to the subspaces with different values of the number of excitations, are forbidden. The main aim of the paper is to investigate the effects of quantization on those properties of the system that produce dynamical chaos.

This paper is organized as follows. In Sec. 2 we introduce the system under consideration and the respective Hamiltonian. In Sec. 3 we derive the Heisenberg equations for the expectation values of the atomic and field operators and review briefly the properties of semiclassical chaos. Our main results are given in Sec. 4 where we derive the Hamilton – Schrödinger equations of motion for a two-level atom in a quantized field, study the quantum Doppler – Rabi resonance, the properties of semiquantum chaos, and atomic fractals in the Fock quantized field.

## 2 Two-level atom with recoil in a standing-wave cavity

We consider a single two-level atom with the frequency $`\omega _a`$ of an electric dipole transition and mass $`m_a`$ moving in an ideal cavity which sustains a single standing-wave mode along the axis $`x`$ with the frequency $`\omega _f`$ and the wave vector $`k_f`$. In the strong coupling limit, where the coefficient of the coupling $`\mathrm{\Omega }_0`$ is much greater than all the relaxation rates, the atom-field dynamics may be treated as Hamiltonian with the respective operator

$$\widehat{H}=\frac{\widehat{P}^2}{2m_a}+\frac{\mathrm{}\omega _a}{2}\widehat{\sigma }_z+\mathrm{}\omega _f\widehat{a}^{}\widehat{a}\mathrm{}\mathrm{\Omega }_0\left(\widehat{a}^{}\widehat{\sigma }_{}+\widehat{a}\widehat{\sigma }_+\right)\mathrm{cos}k_f\widehat{X},$$
(1)
whose summands describe the kinetic and internal energies of the atom, the field energy, and the energy of the atom-field interaction, respectively. The momentum $`\widehat{P}`$, position $`\widehat{X}`$, atomic $`\widehat{\sigma }`$, and field $`\widehat{a},\widehat{a}^{}`$ operators satisfy the standard commutations relations:

$$[\widehat{X},\widehat{P}]=i\mathrm{},[\widehat{\sigma }_\pm ,\widehat{\sigma }_z]=2\widehat{\sigma }_\pm ,[\widehat{\sigma }_+,\widehat{\sigma }_{}]=\widehat{\sigma }_z,[\widehat{a},\widehat{a}^{}]=1.$$
(2)
Operators belonging to different degrees of freedom commute with each other at the same time moment.

In the process of emitting and absorbing photons an atom not only changes its internal electronic state but its external translational state is changed as well due to the photon recoil effect. An interplay between the electronic, translational, and field degrees of freedom of the strongly coupled atom-field system may be described as in the Heisenberg as in the Schrödinger pictures.

## 3 Heisenberg equations for the atomic and field expectation values and semiclassical dynamics

It is convenient to write down the Heisenberg equations for the following operators:

$$\widehat{x}=k_f\widehat{X},\widehat{p}=\frac{\widehat{P}}{\mathrm{}k_f},\widehat{u}=\frac{\widehat{a}^{}\widehat{\sigma }_{}+\widehat{a}\widehat{\sigma }_+}{\sqrt{\widehat{N}}},\widehat{v}=i\frac{\widehat{a}^{}\widehat{\sigma }_{}\widehat{a}\widehat{\sigma }_+}{\sqrt{\widehat{N}}},\widehat{\sigma }_z,$$
(3)
where $`\widehat{N}=\widehat{a}^{}\widehat{a}+(\widehat{\sigma }_z+\widehat{I})/2`$ is a constant operator of the total number of excitations and $`\widehat{I}`$ the identity operator. The derivative of an arbitrary operator $`\widehat{A}`$ with respect to the normalized time $`\tau =\mathrm{\Omega }_0t`$

$$i\mathrm{}\dot{\widehat{A}}=[\widehat{A},\widehat{H}]$$
(4)
results in the following Heisenberg equations for the operators (3):

$`\dot{\widehat{x}}`$ $`=\alpha \widehat{p},`$ (5)
$`\dot{\widehat{p}}`$ $`=\sqrt{\widehat{N}}\widehat{u}\mathrm{sin}\widehat{x},`$
$`\dot{\widehat{u}}`$ $`=\delta \widehat{v},`$
$`\dot{\widehat{v}}`$ $`=\delta \widehat{u}+2\sqrt{\widehat{N}}\widehat{\sigma }_z\mathrm{cos}\widehat{x},`$
$`\dot{\widehat{\sigma }}_z`$ $`=2\sqrt{\widehat{N}}\widehat{v}\mathrm{cos}\widehat{x},`$
where the control parameters

$$\alpha =\frac{\mathrm{}k_f^2}{m_a\mathrm{\Omega }_0},\delta =\frac{\omega _f\omega _a}{\mathrm{\Omega }_0}$$
(6)
are the normalized recoil frequency and the detuning between the field and the atomic frequencies, respectively. The parameter $`\alpha =2\omega _R/\mathrm{\Omega }_0`$ characterizes the average change in translational energy $`\mathrm{}\omega _R`$ in the process of emission and absorption of a photon. The set (5) is not closed. In order to describe fully quantized dynamics one should write down the equations of motion for all the products of the operators (3) and their functions which, in turn, would generate another operator products and respective equations of motion and so on. This process, in general, generates an infinite hierarchy of operator equations. The simplest way to resolve this problem is to take quantum expectation values over an initial quantum state and to factorize all the operator products in Eqs. (5). In this way one gets the closed dynamical system

$`\dot{x}`$ $`=\alpha p,`$ (7)
$`\dot{p}`$ $`=\sqrt{N}u\mathrm{sin}x,`$
$`\dot{u}`$ $`=\delta v,`$
$`\dot{v}`$ $`=\delta u+2\sqrt{N}z\mathrm{cos}x,`$
$`\dot{z}`$ $`=2\sqrt{N}v\mathrm{cos}x,`$
for the classical variables, namely, the atomic position $`x=\mathrm{}\widehat{x}\mathrm{}`$ and momentum $`p=\mathrm{}\widehat{p}\mathrm{}`$, the atom-field variables $`u=\mathrm{}\widehat{u}\mathrm{}`$ and $`v=\mathrm{}\widehat{v}\mathrm{}`$, and the atomic population inversion $`z=\mathrm{}\widehat{\sigma }_z\mathrm{}`$. A conserved number of excitations in the system $`N=\mathrm{}\widehat{N}\mathrm{}=n+(z+1)/2`$ is the additional control parameter. The set (7) has two integrals of motion

$$W=\frac{\alpha }{2}p^2u\sqrt{N}\mathrm{cos}x\frac{\delta }{2}z,R^2=u^2+v^2+z^2,$$
(8)
where $`W`$ is the conserved total energy and $`R^2`$ reflects the conservation of the length of the Bloch vector in the limit of the large number of photons, $`n=\mathrm{}\widehat{a}^{}\widehat{a}\mathrm{}1`$. The set (7) (with slightly another normalization) has been derived in .

In deriving Eqs. (7) from an infinite hierarchy of Heisenberg operator equations, we treat an atom as a point particle that may be justified if its momentum is much greater then the photon momentum $`\mathrm{}k_f`$, i. e. if $`|p|1`$. Factorization of all the operator products in the respective operator equations means that we do not take into account either quantum nature of the field or quantum correlations between all the atomic and field degrees of freedom. It is justified if $`n1`$. Moreover, the procedure of reducing operator equations to semiclassical ones is not unique because the form of the resulting semiclassical equations depends on the factorization procedure. Semiclassical equations of motion, different from (7), have been derived in  with the same Hamiltonian (1). All of them, of course, has the same form in the limit $`n1`$.

It has been found in a series of papers  that the semiclassical equations of motion of the strongly coupled atom-field system in a standing wave cavity produce different types of motion. At exact resonance, $`\delta =0`$, the motion is regular since the set (7) gains an additional conserved quantity $`u(\tau )=u(0)=u_0`$ which reflects the conservation of the atom-field interaction energy at $`\delta =0`$. Depending on the values of the initial atomic momentum $`p_0`$, an atom either oscillates periodically in a potential well of the standing wave or flies over its potential hills. In resonance, the optical potential $`U=u_0\sqrt{N}\mathrm{cos}x\delta z/2`$ coincides with the standing wave structure. The oscillations of the internal atomic energy, the so-called Rabi oscillations $`z(\tau )`$, and the oscillations of the atom-field variables, $`u(\tau )`$ and $`v(\tau )`$, are regular as well. The center-of-mass motion of the atom does not depend on the Rabi oscillations, but its frequency depends on the initial interaction energy $`u_0`$ since it determines the depth of the optical potential wells. In contrary, the Rabi oscillations depend on the translational motion since the strength of the atom-field coupling depends on the position of an atom in a cavity. The respective exact solutions of Eqs. (7) with $`\delta =0`$ one can found in .

Out of resonance, $`\delta 0`$, the set (7) with two integrals (8) is an autonomous Hamiltonian system whose motion takes place on a three-dimensional hypersurface. It has, generally speaking, a positive Lyapunov exponent $`\lambda `$ which has been computed in the paper  as a function of the control parameters $`\alpha `$ and $`\delta `$ and of the initial atomic momentum $`p_0`$. It follows from the first two equations in (7) that the atomic center-of-mass motion is described by the equation for a physical pendulum with a frequency modulation

$$\ddot{x}+\alpha \sqrt{N}u(\tau )\mathrm{sin}x=0,$$
(9)
where $`u`$ is a function of time and all the other variables. Following to  one can show that Eq. (9) may produce a stochastic layer in a neighbourhood of the unperturped separatrix. Analogously to what has been done in , the normalized (to a separatrix value) width of the stochastic layer may be estimated as follows

$$\mathrm{\Delta }8\pi \left(\mathrm{\Omega }/\omega \right)^3\mathrm{exp}\left(\frac{\pi \mathrm{\Omega }}{2\omega }\right),$$
(10)
where $`\mathrm{\Omega }=\sqrt{\delta ^2+4N}`$ is the normalized Rabi frequency and the frequency $`\omega =\sqrt{2\alpha N^{3/2}|\delta |}/\mathrm{\Omega }`$ characterizes small-amplitude oscillations. It should be noted that $`\mathrm{\Delta }`$ gives the lower bound for the layer width (see ).

Center-of-mass motion of a two-level atom in an ideal standing-wave cavity has been found in  to be anomalous. A typical chaotic atomic trajectory consists of intervals of regular motion with an almost constant velocity in each interval (Lévy flights) interrupted by erratic walks. Such an intermittency is typical of Hamiltonian systems with nonhomogeneous phase space with a fractal-like structure consisting of KAM tori, cantori, chains of islands, stochastic sea, etc. . From this point of view, the Lévy flights may be understood as those trajectories that ‘‘stick’’ to islands boundaries for a long time. The representative point on a typical chaotic trajectory sooner or later approaches, as closely as desirable, an island boundary that separates regular and chaotic motions. Nearby such a boundary, the maximal Lyapunov exponent $`\lambda `$ goes to zero, and cantories block the trajectory escape to the stochastic sea. As a result, the atomic motion is almost regular for a time that may be very long. From the physical point of view, the intermittency of the center-of-mass motion is due to the intermittent oscillations of the effective optical potential $`U_{\mathrm{eff}}=\sqrt{N}u\mathrm{cos}x\delta z/2`$ which governs the translational motion of the atom .

The Lévy flights impact the statistical properties of the atomic motion resulting in the anomalous diffusion. It was numerically found in  that the second moment of the position of atom in a cavity evolves in time as $`\overline{x}^2\tau ^\mu `$, where the transport exponent $`\mu `$ may vary from the value $`\mu 1`$, corresponding to the normal diffusion, to the value $`\mu 2`$ corresponding to the superdiffusion. The Poincaré theorem states that every trajectory of a closed conservative dynamical system, except for trajectories of the set of zero measure, returns arbitrarily close to its origin infinitely many times. The recurrence time distribution in the system with perfect mixing is known to be Poissonian, $`P(\tau )=h^1e^{h\tau }`$, where $`h`$ is the Kolmogorov-Sinai entropy. The motion with intermittency and Lévy flights leads to the power law, $`P(\tau )\tau ^\gamma `$ at $`\tau \mathrm{}`$. The exponents $`\mu `$ and $`\gamma `$ are related to each other, and their values depends on the values of the control parameters $`\alpha `$, $`\delta `$, and $`N`$ because by changing them one changes the topology of the phase space.

The atom-photon interaction in a cavity may be considered as the chaotic scattering problem  where a two-level atom is scattered by the standing-wave light or by an optical potential. In difference from the usual scattering of atoms by light , the effective optical potential $`U_{\mathrm{eff}}`$ of the strongly coupled atom-field system depends not only on the field but on the atomic variables as well. Let two atomic detectors to be placed at the cavity mirrors and let them detect the time $`T`$ of atomic exit from the cavity. Let the identically prepared atoms with given initial momenta $`p_0`$ be placed one by one in the middle of the cavity. The dependence $`T(p_0)`$ has been found in  to have a beautiful selfsimilar structure with the Hausdorff dimension to be equal to $`d1.84`$. Tiny interplay between all the degrees of freedom is responsible for trapping atoms with $`T\mathrm{}`$ even in a very short microcavity. Simulation in the cited papers has been performed with a cavity whose length is equal to two standing-wave lengths. Two kinds of atomic fractals have been found in , a countable fractal (a set of $`p_0`$ generating separatrix-like atomic trajectories) and a seemingly uncountable fractal with a set of $`p_0`$ generating infinite walkings of atoms inside the cavity.

## 4 Hamilton-Schrödinger equations and semiquantum dynamics

### 4.1 Derivation of equations of motion

In this section we again consider a two-level atom as a point particle but electronic and field degrees of freedom are treated as fully quantum ones in the Schrödinger picture. It enables us to study the role that field quantum statistic and atomic superposition play in the full atom-field dynamics including chaos. We start with the Hamiltonian $`\widehat{H}`$ (1).

The Hamilton equations for the classical translational degree of freedom is easily found

$$\frac{d\mathrm{}\widehat{X}\mathrm{}}{dt}=\frac{\mathrm{}\widehat{H}\mathrm{}}{\mathrm{}\widehat{P}\mathrm{}},\frac{d\mathrm{}\widehat{P}\mathrm{}}{dt}=\frac{\mathrm{}\widehat{H}\mathrm{}}{\mathrm{}\widehat{X}\mathrm{}},$$
(11)
where $`\mathrm{}\mathrm{}\mathrm{}`$ denotes an expectation value of the corresponding operator over a quantum state $`|\mathrm{\Psi }\mathrm{}`$ of the electronic-field Hamiltonian. Using the same normalizations and notations as in the preceding section, we get

$$\dot{x}=\alpha p,\dot{p}=\mathrm{}\widehat{u}\mathrm{}\mathrm{sin}x,$$
(12)
where $`\mathrm{}\widehat{u}\mathrm{}=\mathrm{}\mathrm{\Psi }(\tau )|\widehat{u}_0|\mathrm{\Psi }(\tau )\mathrm{}`$.

Let us expand a state vector of the electronic-field subsystem over the basic energetic atomic states $`|2\mathrm{}`$ and $`|1\mathrm{}`$ and the Fock field states $`|n\mathrm{}`$

$$|\mathrm{\Psi }(\tau )\mathrm{}=\underset{n=0}{\overset{\mathrm{}}{}}(a_n(\tau )|2,n\mathrm{}+b_n(\tau )|1,n\mathrm{}),$$
(13)
where $`a_n`$ and $`b_n`$ are the probability amplitudes to find the atom in its excited or ground state with $`n`$ photons in the mode, respectively. Substitution of the vector (13) in the time-dependent Schrödinger equation

$$i\mathrm{}|\dot{\mathrm{\Psi }}\mathrm{}=\widehat{H}|\mathrm{\Psi }\mathrm{}$$
(14)
gives the infinite-dimensional set of the coupled ODE’s

$`\dot{a}_n`$ $`=i\left(\mathrm{\Delta }_aa_n\sqrt{n+1}b_{n+1}\mathrm{cos}x\right),`$ (15)
$`\dot{b}_{n+1}`$ $`=i\left(\mathrm{\Delta }_bb_{n+1}^{}\sqrt{n+1}a_n^{}\mathrm{cos}x\right),`$ $`n=0,\mathrm{\hspace{0.17em}1},\mathrm{\hspace{0.17em}2},\mathrm{},`$
where $`\mathrm{\Delta }_a=n\omega _f+\omega _a/2`$ and $`\mathrm{\Delta }_b=(n+1)\omega _f\omega _a/2`$. Introducing the following combinations of the probability amplitudes:

$$u_n=2\mathrm{Re}\left(a_nb_{n+1}^{}\right),v_n=2\mathrm{Im}\left(a_nb_{n+1}^{}\right),z_n=|a_n|^2|b_{n+1}|^2,$$
(16)
we get the quantum Bloch-like equations

$`\dot{u}_n`$ $`=\delta v_n,`$ (17)
$`\dot{v}_n`$ $`=\delta u_n+2\sqrt{n+1}z_n\mathrm{cos}x,`$
$`\dot{z}_n`$ $`=2\sqrt{n+1}v_n\mathrm{cos}x,n=0,\mathrm{\hspace{0.17em}1},\mathrm{\hspace{0.17em}2},\mathrm{},`$
where the detuning $`\delta `$ is the same as in (6). After computing $`\mathrm{}\widehat{u}\mathrm{}`$, we obtain our basic Hamilton-Schrödinger equations

$`\dot{x}_{}`$ $`=\alpha p,`$ (18)
$`\dot{p}_{}`$ $`=\underset{n=0}{\overset{\mathrm{}}{}}\sqrt{n+1}u_n\mathrm{sin}x,`$
$`\dot{u}_n`$ $`=\delta v_n,`$
$`\dot{v}_n`$ $`=\delta u_n+2\sqrt{n+1}z_n\mathrm{cos}x,`$
$`\dot{z}_n`$ $`=2\sqrt{n+1}v_n\mathrm{cos}x,n=0,\mathrm{\hspace{0.17em}1},\mathrm{\hspace{0.17em}2},\mathrm{}.`$
This infinite set of nonlinear ODE’s possesses an infinite number of the integrals of motion, the total energy integral

$$W=\frac{\alpha }{2}p^2\underset{n=0}{\overset{\mathrm{}}{}}\sqrt{n+1}u_n\mathrm{cos}x\frac{\delta }{2}\underset{n=0}{\overset{\mathrm{}}{}}z_n,$$
(19)
the Bloch-like integrals for each $`n`$

$$R_n^2=u_n^2+v_n^2+z_n^2,$$
(20)
and the global integral reflecting conservation of the total probability

$$\underset{n=0}{\overset{\mathrm{}}{}}R_n=1.$$
(21)
The quantities that can be measured in real experiments are the atomic position $`x`$, momentum $`p`$ and the atomic population inversion

$$z(\tau )=\underset{n=0}{\overset{\mathrm{}}{}}z_n(\tau ).$$
(22)
The semiquantum equations (18) — (21) should be compared with the semiclassical equations (7) and (8) because they describe the same physical situation but on the different ground. They are exactly identical in the case of the initial Fock state of the cavity field with $`\overline{n}`$ quanta and the atom to be prepared initially in one of its energetic states. It is easy to show that an infinite number of equations (18) reduces in this case to five equations (7) with $`N=\overline{n}+(z+1)/2=\overline{n}+1`$ if $`|\mathrm{\Psi }(0)\mathrm{}=|2,n\mathrm{}`$ and $`N=\overline{n}`$ if $`|\mathrm{\Psi }(0)\mathrm{}=|1,n\mathrm{}`$. If the atom is initially prepared in a general superposition state and the field is in the Fock state $`|n\mathrm{}`$

$$|\mathrm{\Psi }(0)\mathrm{}=a_n(0)|2,n\mathrm{}+b_n(0)|1,n\mathrm{},\left|a_n(0)\right|^2+\left|b_n(0)\right|^2=1,$$
(23)
we get from Eqs. (18)

$$\begin{array}{c}\begin{array}{cc}\hfill \dot{x}& =\alpha p,\hfill \\ \hfill \dot{p}& =\left(\sqrt{\overline{n}}u_{n1}+\sqrt{\overline{n}+1}u_n\right)\mathrm{sin}x,\hfill \end{array}\\ \begin{array}{cccc}\hfill \dot{u}_{n1}& =\delta v_{n1},\hfill & \hfill \dot{u}_n& =\delta v_n,\hfill \\ \hfill \dot{v}_{n1}& =\delta u_{n1}+2\sqrt{\overline{n}}z_{n1}\mathrm{cos}x,\hfill & \hfill \dot{v}_n& =\delta u_n+2\sqrt{\overline{n}+1}z_n\mathrm{cos}x,\hfill \\ \hfill \dot{z}_{n1}& =2\sqrt{\overline{n}}v_{n1}\mathrm{cos}x,\hfill & \hfill \dot{z}_n& =2\sqrt{\overline{n}+1}v_n\mathrm{cos}x\hfill \end{array}\end{array}$$
(24)
with the respective integrals

$`W={\displaystyle \frac{\alpha }{2}}p^2\left(\sqrt{\overline{n}}u_{n1}+\sqrt{\overline{n}+1}u_n\right)\mathrm{cos}x{\displaystyle \frac{\delta }{2}}(z_{n1}+z_n),`$ (25)
$`R_{n1}^2=u_{n1}^2+v_{n1}^2+z_{n1}^2=\left|b_n(0)\right|^4,`$
$`R_n^2=u_n^2+v_n^2+z_n^2=\left|a_n(0)\right|^4,`$
$`R_{n1}+R_n=1,`$
and initial conditions

$$\begin{array}{c}x(0)=x_0,p(0)=p_0,z_{n1}(0)=\left|b_n(0)\right|^2,z_n(0)=\left|a_n(0)\right|^2,\hfill \\ \hfill u_{n1}(0)=u_n(0)=v_{n1}(0)=v_n(0)=0.\end{array}$$
(26)
### 4.2 Doppler – Rabi resonance

If the field frequency $`\omega _f`$ is far detuned from the frequency of the atomic working transition $`\omega _a`$, i. e. if $`|\delta |1`$, then the Rabi oscillations $`z(\tau )`$ should be very shallow as oscillations of an oscillator under influence of a far-detuned time-dependent force. It is correct if the atom does not move. The Doppler effect with a moving atom causes an interesting effect of the Doppler – Rabi resonance if the condition $`|\alpha p||\delta |`$ is fulfilled. A standing wave is a sum of two running waves moving in the opposite directions. In the reference frame of the moving atom, their frequencies are different due to the Doppler effect

$$\omega _1=\omega _f\frac{v_a}{c}\omega _f,\omega _2=\omega _f+\frac{v_a}{c}\omega _f,$$
(27)
where $`v_a`$ and $`c`$ are the atomic and light velocities, respectively, and $`v_ac`$. If the initial atomic momentum $`p_0`$ is sufficiently large, the Raman – Nath condition, $`pp_0`$ is valid. Let us define dimensionless detunings between the frequencies of the atomic transition and the running waves as follows:

$$\delta _1=\frac{\omega _1\omega _a}{\mathrm{\Omega }_0}=\delta \alpha p_0,\delta _2=\frac{\omega _2\omega _a}{\mathrm{\Omega }_0}=\delta +\alpha p_0.$$
(28)
It is evident that the atom comes in resonance with one of the running waves if $`|\alpha p_0||\delta |`$. If $`|\delta |1`$, the interaction of the atom with the other running wave is negligibly small. Suppose that the atom is initially prepared in the ground state, i. e. $`z_{n1}(0)=1`$, $`z_n(0)=0`$, and $`z(0)=1`$, than the equations of motion (24) for the atom with a constant speed and with the other initial conditions written in (26) are reduced to the following simple set:

$`\dot{u}_n`$ $`=\delta v_n,`$ (29)
$`\dot{v}_n`$ $`=\delta u_n+\sqrt{\overline{n}+1}z_n,`$
$`\dot{z}_n`$ $`=\sqrt{\overline{n}+1}v_n.`$
It should be noted that the amplitude of the running wave is half of the standing-wave amplitude, and the atom-field interaction does not depend on atomic position. The solution for the atomic population inversion with given initial conditions is easy to find

$$z(\tau )=z_n(\tau )=\left(\frac{\delta \alpha p_0}{\mathrm{\Omega }_n}\right)^2\frac{\sqrt{\overline{n}+1}}{\mathrm{\Omega }_n^2}\mathrm{cos}\mathrm{\Omega }_n\tau ,$$
(30)
where $`\mathrm{\Omega }_n=\sqrt{(\delta \alpha p_0)^2+\sqrt{\overline{n}+1}}`$ is the Rabi frequency. In particular, at exact Doppler – Rabi resonance, $`|\alpha p_0|=|\delta |`$, the inversion oscillates at the frequency $`(\overline{n}+1)^{1/4}`$ and its amplitude is maximal.

The Doppler – Rabi resonance is illustrated in Fig. 1 where we plot the Rabi oscillation signals $`z(\tau )`$ computed with the full set (24) and two initial states of the atom when it is prepared in the ground level with $`z(0)=1`$ and in the superposition state with $`z(0)=0`$ ($`z_{n1}(0)=1/2`$, and $`z_n(0)=1/2`$). In our simulation $`\alpha =10^3`$, $`\overline{n}=10`$ and $`x_0=0`$. When $`\delta =32`$ and $`p_0=32000`$ and the resonance condition is fulfilled we really see the maximal Rabi oscillations with both the initial conditions. The signal in Fig. 1a with $`z(0)=1`$ is described by the analytical solution (30). When $`z(0)=0`$ we have two oscillators with different frequencies (see (24)) and the resulting signal $`z(\tau )=z_{n1}(\tau )+z_n(\tau )`$ in Fig. 1c demonstrates a beating with two harmonic components of the type of (30) with $`\mathrm{\Omega }_n=(\overline{n}+1)^{1/4}`$ and $`\mathrm{\Omega }_{n1}=\overline{n}^{1/4}`$. For comparison, we plot in Fig. 1b and d very shallow Rabi oscillations with the same value of the atomic momentum $`p_0=32000`$ but out off the resonance, $`|\alpha p_0||\delta |`$. The amplitude of the Rabi oscillations in Fig. 1b with $`z(0)=1`$ and $`\delta =1`$ does not exceed $`2\%`$ of the amplitude of the resonant oscillations in Fig. 1a. The same is valid with another initial value of the atomic inversion population, $`z(0)=0`$ (compare, please, Figs. 1c and d).

In conclusion, deep Rabi oscillations are possible at as large values of the detuning $`|\delta |`$ as desirable if a two-level atom moves with the corresponding velocity.

### 4.3 Chaos in a quantized Fock field

Lyapunov exponents are known to be quantitative indicators of chaos in dynamical systems. They characterize the behavior of close trajectories in phase space. If the quantized field is initially prepared in a Fock state $`|n\mathrm{}`$ with $`n`$ quanta in the mode, the Hamilton – Schrödinger equations of motion have the form (24) for an arbitrary internal atomic state. The 8-dimensional dynamical system (24) with 4 integrals of motion (25) has, as maximum, four nonzero Lyapunov exponents $`\lambda _i`$ ($`i=1,\mathrm{\hspace{0.17em}2},\mathrm{\hspace{0.17em}3},\mathrm{\hspace{0.17em}4}`$)

$$\lambda _i=\underset{\tau \mathrm{}}{lim}\lambda _i(\tau ),\lambda _i(\tau )=\underset{\mathrm{\Delta }_i(0)0}{lim}\frac{1}{\tau }\mathrm{ln}\frac{\mathrm{\Delta }_i(\tau )}{\mathrm{\Delta }_i(0)},$$
(31)
where $`\mathrm{\Delta }_i(\tau )`$ is the distance (in the Euclidean sense) in the $`i`$-th direction at the moment $`\tau `$ between two trajectories that were close to each other at $`\tau =0`$. In Hamiltonian systems, due to the phase space volume conservation, $`\lambda _1+\lambda _2+\lambda _3+\lambda _4=0`$, and $`\lambda _1=\lambda _2`$, $`\lambda _3=\lambda _4`$. Computing the maximal Lyapunov exponent $`\lambda `$, one measures an averaged rate of separation of initially close trajectories.

The system has three control parameters, the initial number of photons in the mode $`\overline{n}`$, the normalized recoil frequency $`\alpha `$ and the detuning $`\delta `$, each of which may vary in a wide range of values. To diagnose chaos it is instructive to compute the so-called topographic $`\lambda `$-maps  which show by color modulation values of $`\lambda `$ in the ranges of values of two control parameters with the other to be fixed. When computing the $`\lambda `$-maps, we choose the following initial conditions: $`x(0)=0`$, $`p(0)=50`$, $`u_{n1}(0)=u_n(0)=v_{n1}(0)=v_n(0)=0`$, $`z_{n1}(0)=1/2`$, $`z_n(0)=1/2`$ and $`z_{n1}(0)=0`$, $`z_n(0)=1`$. It means that the atom is prepared initially in the state with zero population inversion $`z(0)=0`$ or in the excited state, $`z(0)=1`$. In Fig. 2 we show the $`\lambda `$-map with $`z(0)=0`$ in the ranges of the detuning $`|\delta |2`$ and the recoil frequency $`4\mathrm{log}_{10}\alpha 1`$ with the fixed value of the initial number of photons $`\overline{n}=10`$. The set (24) is integrable at exact atom-field resonance ($`\delta =0`$) with $`\lambda =0`$. The $`\alpha `$$`\delta `$ map confirms this conjecture. The values of $`\alpha 10^4÷10^2`$, that correspond to positive values of $`\lambda `$, are reasonable with real atoms , and one may expect chaotic atomic motion in the respective ranges of $`\alpha `$ and $`\delta `$. Another $`\lambda `$-map with $`z(0)=1`$ shows in Fig. 3 the value of $`\lambda `$ in dependence on $`\alpha `$ and $`\overline{n}`$ at $`\delta =0.5`$ in double logarithmic scale. The magnitude of $`\lambda `$ grows, in average, with increasing the initial number of photons in the cavity mode.

A feasible scheme for detecting manifestation of chaos with hot two-level Rydberg atoms moving in a high-Q microwave cavity has been proposed in . The same idea could be realized with cold usual atoms in a high-Q microcavity. Consider a 2D-geometry of a gedanken experiment shown in Fig. 4a, where a monokinetic atomic beam propagates almost perpendicularly to the cavity axis $`x`$. In a reference frame moving with a constant velocity in the $`y`$-direction, there remains only the transverse atomic motion along the axis $`x`$. One measures atomic population inversion after passing the interaction zone. Before injecting atoms in the cavity, it is necessary to prepare all the atoms in the same electronic state, say, in the excited state, with the help of a $`\pi `$-pulse of the laser radiation. It may be done with only a finite accuracy, say, equal to $`\mathrm{\Delta }z_{\text{in}}`$ for the initial population inversion $`z_{\text{in}}`$. The values of the population inversion $`z_{\text{out}}`$ are measured with detectors at a fixed time moment. If we would work with the values of the control parameters corresponding to the regular atom-field dynamics, we would expect to have a regular curve $`z_{\text{out}}`$$`z_{\text{in}}`$. In the chaotic regime, the atomic inversion at the output can be predicted (within a certain confidence interval $`\mathrm{\Delta }z`$) for a time not exceeding the so-called predictability horizon

$$\tau _p\frac{1}{\lambda }\mathrm{ln}\frac{\mathrm{\Delta }z}{\mathrm{\Delta }z_{\text{in}}},$$
(32)
which depends weakly on $`\mathrm{\Delta }z_{\text{in}}`$ and $`\mathrm{\Delta }z`$. Since the maximal confidence interval lies in the range $`|\mathrm{\Delta }z|1`$ and $`\lambda `$ may reach the values of the order of $`1.5`$ (see $`\lambda `$-maps), the predictability horizon in accordance with the formula (32) can be very short: with $`\lambda `$ =0.5 $`\tau _p`$ may be of the order of 10 in units of the reciprocal of the vacuum Rabi frequency $`\mathrm{\Omega }_0`$ that correspond to $`t_p10^7`$ s with the realistic value of $`\mathrm{\Omega }_010^8`$ rad$``$ s<sup>-1</sup> .

In the regular regime, the inevitable errors in preparing $`\mathrm{\Delta }z_{\text{in}}`$ produce the output errors $`\mathrm{\Delta }z_{\text{out}}`$ of the same order. In the chaotic regime, the initial uncertainty increases exponentially resulting in a complete uncertainty of the detected population inversion in a reasonable time. It is demonstrated in Fig. 5, where we plot the dependence of the values of $`z(\tau )=z_{\text{out}}`$ at $`\tau =100`$ (Fig. 5a) and $`\tau =200`$ (Fig. 5b) on the values of $`z(0)=z_{\text{in}}`$ in the chaotic regime with $`\delta =0.4`$ and $`\lambda 0.05`$. It is evident from Fig. 5a, that at the detection time moment $`\tau =100`$ an initial error $`\mathrm{\Delta }z_{\text{in}}=10^4`$ leads to a complete uncertainty $`\mathrm{\Delta }z_{\text{out}}2`$ in rather large vicinities of the initial inversion $`z_{\text{in}}\pm 1`$, whereas the dependence $`z_{\text{out}}`$$`z_{\text{in}}`$ is a regular one in the vicinity of $`z_{\text{in}}0`$. With increasing the detection time (see Fig. 5b at $`\tau =200`$), the probability of detecting any value of $`z_{\text{out}}`$ in the interval $`[1,\mathrm{\hspace{0.17em}1}]`$ is almost unity in the whole range of $`z_{\text{in}}`$. The formula (32) gives the value of the predictability horizon $`\tau _p200`$ with $`\lambda 0.05`$. To feel the difference, it is desirable to carry out a control experiment at the exact resonance ($`\delta =0`$) when the atomic motion is fully regular with any initial values. The dependence $`z_{\text{out}}`$$`z_{\text{in}}`$ with $`\delta =0`$ is demonstrated in the inset in Fig. 5b with all the other control parameters and initial values being the same.

### 4.4 Atomic fractals in a quantized field

In this section, we treat the atom-photon interaction in a high-Q cavity as a chaotic scattering problem . Atoms from outside are injected into a 1D-cavity, interact for a while with the cavity field and then they are removed from the cavity by hook or by crook. Following to , let us consider the scheme of scattering of atoms by the standing wave shown in Fig. 4b. Atoms, one by one, are placed at the point $`x=0`$ with different initial values of the momentum $`p_0`$ along the cavity axis. For simplicity, we suppose that they have no momentum in the other directions (1D-geometry). We compute the time the atoms need to reach one of the detectors placed at the cavity mirrors. The dependence of this exit time $`T`$ on the initial atomic momentum $`p_0`$ is studied under the other initial conditions and parameters being the same. To avoid complications that are not essential to the main theme of this section, we consider the cavity with only two standing-wave lengths. Before injecting into a cavity, atoms are suppose to be prepared in the superposition state with $`u_{n1}(0)=u_n(0)=v_{n1}(0)=v_n(0)=0`$, $`z_{n1}(0)=1/2,z_n(0)=1/2`$, i. e. in the state with zero population inversion $`z(0)=z_{n1}(0)+z_n(0)=0`$.

At exact resonance ($`\delta =0`$) with $`u_{n1}(\tau )=u_n(\tau )=0`$, the optical potential $`U=(\sqrt{\overline{n}}u_{n1}+\sqrt{\overline{n}+1}u_n)\mathrm{cos}x\delta (z_{n1}+z_n)/2`$ is equal to zero, and the analytical expression for the dependence in question can be easily found to be the following: $`T(\delta =0)=3\pi /2\alpha p_0`$ if $`p_0>0`$ and $`T(\delta =0)=\pi /2\alpha p_0`$ if $`p_0<0`$. Atoms simply fly through the cavity in one direction with their initial constant velocity and are registered by one of the detectors. Out of resonance ($`\delta 0`$), the atomic motion has been numerically found in the preceding section to be chaotic with positive values of the maximal Lyapunov exponent. Fig. 6 shows the function $`T(p_0)`$ with the normalized detuning $`\delta =0.4`$, the recoil frequency $`\alpha =10^3`$, and the average initial number of cavity photons $`\overline{n}=10`$. The exit-time function demonstrates an intermittency of smooth curves and complicated structures that cannot be resolved in principle, no matter how large the magnification factor. Fig. 6b shows magnification of the function for the small interval $`64.1p_064.6`$. Further magnification in the range $`64.2743p_064.2754`$ shown in Fig. 6c reveals a beautiful self-similar structure. Some structures in Fig. 6a that look like fractal are not, in fact, unresolvable and self-similar. Magnification of the structure in the range $`73.2p_073.8`$ (Fig. 7a), shown in Fig. 7b, demonstrates quite a smooth function without unresolvable substructures and with only two singular points on the borders of the respective momentum interval. Beating, visible in all the structures of the atomic fractal in Figs. 67, should be attributed to the structure of the Hamilton-Schrödinger equations (24) which describe two atom-field oscillators with slightly different frequencies.

The exit time $`T`$, corresponding to both smooth and unresolved $`p_0`$ intervals, increases with increasing the magnification factor. It follows that there exist atoms never reaching the detectors in spite of the fact that they have no obvious energy restrictions to leave the cavity. Tiny interplay between chaotic external and internal dynamics prevents these atoms from leaving the cavity. The similar phenomenon in Hamiltonian systems is known as dynamical trapping . Different kinds of atomic trajectories, which are computed with the system (24), are shown in Fig. 8. A trajectory with the number $`m`$ transverses the central node of the standing-wave, before being detected, $`m`$ times and is called $`m`$-th trajectory. There are also special separatrix-like $`mS`$-trajectories following which atoms in infinite time reach the stationary points $`x_s=\pm \pi n`$ ($`n=0,\mathrm{\hspace{0.17em}1},\mathrm{\hspace{0.17em}2},\mathrm{}`$), $`p_s=0`$, transversing $`m`$ times the central node. These points are the anti-nodes of the standing wave where the force acting on atoms is zero. A detuned atom can asymptotically reach one of the stationary points after transversing the central node $`m`$ times. The trajectory with number 1, showing in Fig. 8, is close to a separatrix-like $`1S`$-trajectory. The smooth $`p_0`$ intervals in the first-order structure in Fig. 6a correspond to atoms transversing once the central node and reaching the right detector. The unresolved singular points in the first-order structure with $`T=\mathrm{}`$ at the border between the smooth and unresolved $`p_0`$ intervals are generated by the $`1S`$-trajectories. Analogously, the smooth and unresolved $`p_0`$ intervals in the second-order structure in Fig. 6b correspond to the 2-nd order and the other trajectories, respectively, with singular points between them corresponding to the $`2S`$-trajectories and so on.

There are two different mechanisms of generation of infinite exit times, namely, dynamical trapping with infinite oscillations ($`m=\mathrm{}`$) in a cavity and the separatrix-like motion ($`m\mathrm{}`$). The set of all initial momenta generating the separatrix-like trajectories is a countable fractal. Each point in the set can be specified as a vector in a Hilbert space with $`m`$ integer nonzero components. One is able to prescribe to any unresolved interval of $`m`$-th order structure a set with $`m`$ integers, where the first integer is a number of a second-order structure to which trajectory under consideration belongs in the first-order structure, the second integer is a number of a third-order structure in the second-order structure mentioned above, and so on. Such a number set is analogous to a directory tree address: ‘‘$`<`$a subdirectory of the root directory$`>`$/$`<`$a subdirectory of the 2-nd level$`>`$/$`<`$a subdirectory of the 3-rd level$`>`$/…’’.

## 5 Conclusion

Atoms in cavities provide a microscopic nonlinear dynamical system with a reach variety of qualitatively different dynamics that may be explored to study the key problems of modern quantum physics and nonlinear science including the problem of the quantum-classical correspondence. The up-to-date experimental state of art has reached the stage where the quantum to classical transition and the borderland between them can now be probed directly. Increasing the number of atoms or/and the average number of photons in a cavity mode, one can force the atom-field system to operating in quantum, semiquantum, and semiclassical regimes providing a link between micro-, meso-, and . In this paper, we derived the Hamilton – Schrödinger equations of motion that describe the semiquantum Hamiltonian dynamics of a two-level atom with recoil strongly coupled to a single-mode standing-wave quantized field in an ideal cavity. It has been shown that dynamical chaos and fractals may arise in a wide range of the control parameters of the system. To estimate their magnitudes we use the parameters of the real experiments with single atoms in Fabry – Perot microcavities in the strong-coupling regime , for which the amplitude of the atom-field coupling strength may reach $`\mathrm{\Omega }_0=2\pi (10^7÷10^8)`$ Hz exceeding the decay rates of the cavity mode and the atomic dipole. With the above mentioned values of $`\mathrm{\Omega }_0`$ and $`k_f2\pi 10^6`$ m<sup>-1</sup>, one can estimate the normalized recoil frequency $`\alpha `$ to be in range $`10^5`$$`10^2`$ depending on the magnitude of the atomic mass.

## Acknowledgments

This work was supported by the Russian Foundation for Basic Research under Grant Nos. 02–02–17796, 02–02–06840, and 02–02–06841. One of the authors (S. P.) thanks the Organizing Committee of the Workshop for supporting his visit to Carry le Rouet.