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# Higher order curvature generalisations of Bartnick-McKinnon and coloured black hole solutions in 𝑑=5

## I Introduction

In a previous paper  we discussed regular solutions to the $`d`$ dimensional Einstein–Yang-Mills (EYM) system consisting of the first two members of each hierarchy in increasing orders of the curvatures, the YM fields with gauge group $`SO(d)`$. Concretely, we constructed these solutions for $`d=6,7`$ and $`8`$. In  we restricted to those dimensions in which the solutions constructed had nontrivial flat-space limits. Due to Derrick’s scaling requirement, $`d=5`$ was excluded. Here we consider this system in dimension $`d=5`$, and in addition to regular ones, we construct also black hole solutions.

It is well known that Derrick’s theorem forbids static, globally regular, finite energy solutions in pure YM theory, and that pure Einstein gravity has also no globally regular solutions. Finite energy solutions in the combined EYM system however, are not obstructed by this scaling requirement and indeed spherically symmetric particle-like solutions in this system in $`d=4`$ dimensions  were discovered. In fact, Bartnik and McKinnon discovered an infinite series of solutions indexed by the number $`k`$ of nodes of the gauge field function. The energy of these solutions is however not bounded from below by any topological charge, and as expected are in this sense sphaleron- like . Shortly after this discovery, the corresponding black hole solutions, so-called “coloured black holes” where constructed . These provided one of the first examples of the fact that the famous “No-hair” conjecture cannot be generalised to theories which involve non-linear matter sources. In the years that followed, solutions of $`d=4`$ EYM theory have been studied in great detail (see  for a review).

Field theories in more than $`4`$ dimensions gained increasing interest in past years since it now seems accepted that many aspects of field theory depend on the higher (than four) dimensional aspects of some of these theories. Superstring theory , which is considered to be a good candidate for a “Theory of Everything” (TOE), is only consistent in $`d=10`$. In the low energy effective action limit of (Super)string theories, new terms appear. In the gravity sector, these are the Gauss-Bonnet terms, while e.g. for Yang-Mills fields a hierarchy appears, which results from the replacement of the standard Yang-Mills action by the corresponding Born-Infeld action.

Recently moreover, the Randall-Sundrum (RS) models  have pushed forward the study of solutions in dimensions $`d>4`$ even further. These models involve either two (RSI)  or one (RSII)  3-brane(s) in a 5-dimensional space-time. While gravity “lives” in the full 5 dimensions, the matter fields are confined to the brane.

Consequently, Einstein-Yang-Mills solutions in $`d=5`$ have been studied . In  it was found that no static, globally regular, finite energy solutions exist in an asymptotically flat space-time. Only if $`/x_4`$ with $`x_4`$ being the coordinate of the 5th dimension is chosen to be a Killing vector of the model, finite energy solutions are possible. In  globally regular as well as non-abelian black hole solutions of the $`d=5`$ EYM model in asymptotically flat, in de Sitter (dS) and in Anti-de Sitter (AdS) space-time have been constructed. It was found that -like in asymptotically flat space- non globally regular, finite energy solutions are possible in a space-time with negative cosmological constant (AdS space).

We give the model, ansatz, classical field equations and boundary conditions for generic $`d`$ in Section II. We discuss Reissner-Nordström-like solutions in Section III, the generalised Bartnik-McKinnon solutions in Section IV and the generalised coloured black hole solutions in Section V. We give our conclusions in Section VI.

## II The model

We consider here the Lagrangian employed in , containing only the first two terms of both the gravitational and Yang-Mills hierarchies, namely

$$=_{grav}+_{YM}$$
(1)
with

$$_{grav}=\sqrt{g}\left(\frac{\kappa _1}{2}R_{(1)}+\frac{\kappa _2}{4}R_{(2)}\right)$$
(2)
and

$$_{YM}=\sqrt{g}\left(\frac{\tau _1}{4}\text{T}rF^2(2)+\frac{\tau _2}{48}\text{Tr}F^2(4)\right).$$
(3)
$`g`$ denotes the determinant of the $`d`$-dimensional metric tensor, $`R_{(1)}`$ is the standard Ricci scalar appearing in the Einstein-Hilbert action, while $`R_{(2)}`$ is the $`2`$\- Ricci scalar associated with the first Gauss-Bonnet (GB) term. $`F(2)`$ denotes the standard Yang-Mills 2-form, while $`F(4)`$ is the Yang-Mills 4-form resulting from the total antisymmetrisation of $`F(2)`$ (see  for details).

Though we are primarily interested in $`d=5`$ in this paper, we give the ansatz, the equations and the boundary conditions in this section for generic $`d`$. This is because, before proceeding to construct solutions numerically in Sections IV and V in $`d=5`$, we will consider the question of Reissner-Nordström-like solutions in section III, for generic $`d`$.

### A The Ansatz

The choice of gauge group is somewhat flexible. In  the gauge group chosen was $`SO(d)`$, in $`d`$ dimensions. But the gauge field of the static solutions in question took their values in $`SO(d1)`$. Thus in effect, it is possible to choose $`SO(d)`$ in the first place. Now for even $`d`$, it is convenient to choose $`SO(d)`$ since we can then avail of the chiral representations of the latter, although this is by no means obligatory. Adopting this criterion, namely to employ chiral representations, also for odd $`d`$, it is convenient to choose the gauge group to be $`SO(d1)`$. We shall therefore denote our representation matrices by $`SO_\pm (\overline{d})`$, where $`\overline{d}=d`$ and $`\overline{d}=d1`$ for even and odd $`d`$ respectively.

In this unified notation (for odd and even $`d`$), the spherically symmetric Ansatz for the $`SO_\pm (\overline{d})`$-valued gauge fields then reads:

$$A_0=0,A_i=\left(\frac{w(r)1}{r}\right)\mathrm{\Sigma }_{ij}^{(\pm )}\widehat{x}_j,\mathrm{\Sigma }_{ij}^{(\pm )}=\frac{1}{4}\left(\frac{1\pm \mathrm{\Gamma }_{\overline{d}+1}}{2}\right)[\mathrm{\Gamma }_i,\mathrm{\Gamma }_j].$$
(4)
The $`\mathrm{\Gamma }`$’s denote the $`\overline{d}`$-dimensional gamma matrices and $`1,j=1,2,\mathrm{},d1`$ for both cases.

For the metric, we choose the Schwarzschild-type spherically symmetric Ansatz:

$$ds^2=\sigma ^2(r)N(r)dt^2+N^1(r)dr^2+r^2d\mathrm{\Omega }_{d2}^2$$
(5)
where $`\sigma `$ and $`N`$ are only functions of the $`d2`$ dimensional radial coordinate $`r`$. The consistency of this Ansatz for this system has been checked .The function $`N(r)`$ is related to the mass function $`m(r)`$ in the following way:

$$m(r)=n_d^1[\kappa _1r^{d3}(1N)+\frac{1}{4}\kappa _2r^{d5}(1N)^2],$$
(6)
where $`n_d`$ is the dimension of the $`\mathrm{\Gamma }`$ matrices entering in (4). $`n_d=2^{(d2)/2}`$ for $`d`$ even and $`n_d=2^{(d1)/2}`$ for $`d`$ odd. For $`\kappa _2=0`$ and $`d=4`$ (6) reduces to the standard definition of the mass function $`m(r)`$.

### B The classical field equations

Inserting the Ansatz into the action and varying with respect to the matter field $`w(r)`$ and the metric fields $`N(r)`$, $`\sigma (r)`$, we obtain the classical field equations :

$`2\tau _1`$ $`\left(\left(r^{d4}\sigma Nw^{}\right)^{}(d3)r^{d6}\sigma (w^21)w\right)+`$ (7)
$`+`$ $`3\tau _2`$ $`(d3)(d4)(w^21)\left(\left(r^{d8}\sigma N(w^21)w^{}\right)^{}(d5)r^{d10}\sigma (w^21)^2w\right)=0`$ (8)
$`m^{}`$ $`=`$ $`{\displaystyle \frac{1}{8}}r^{d4}(\tau _1[Nw^2+{\displaystyle \frac{1}{2}}(d3)\left({\displaystyle \frac{w^21}{r}}\right)^2]`$ (9)
$`+`$ $`{\displaystyle \frac{3}{2}}{\displaystyle \frac{\tau _2}{r^2}}(d3)(d4)\left({\displaystyle \frac{w^21}{r}}\right)^2[Nw^2+{\displaystyle \frac{1}{4}}(d5)\left({\displaystyle \frac{w^21}{r}}\right)^2])`$ (10)
$$\left[\kappa _1+\frac{\kappa _2}{2r^2}(d3)(d4)(1N)\right]\left(\frac{\sigma ^{}}{\sigma }\right)=\frac{n_d}{8r}\left[\tau _1+\frac{3}{2}\frac{\tau _2}{r^2}(d3)(d4)\left(\frac{w^21}{r}\right)^2\right]w^2.$$
(11)
For $`\kappa _2=\tau _2=0`$ and $`d=4`$, (8)-(11) coincide with the ordinary differential equations of .

## III Reissner-Nordström-like solutions

For $`d=4`$ the Reissner-Nordström (RN) solution is a solution of the Einstein-Yang-Mills equations  with $`w0`$ and $`\sigma 1`$. Interestingly, it was found that the RN solution is the limiting solution of the sequence of Bartnik-McKinnon (BM) solutions for the number of gauge field nodes going to infinity. Thus, a charged solution (the RN solution) represents the limiting solution of a sequence of non-charged solutions (the BM solutions). However, it should be noted that through suitable rescalings in the $`d=4`$ EYM system, the only parameter that can be changed for spherically symmetric solutions is the number of nodes of the gauge field. In this paper, we have additional parameters, which result from the inclusion of higher order curvature and Yang-Mills hierarchy terms. Here we study whether the RN solution is still a possible solution of the generalised EYM equations.

In this Section, we give an answer to this question, for generic $`d`$. For our considerations, it is immaterial how many GB terms the gravitational sector contains. What is important is the YM content of increasing orders. For this purpose, it is useful to consider the most general version of equation (10), but in practice we restrict to the case with the first three members of the YM hierarchy, from which it is easy to conclude the maximal superposition of YM terms555By maximal superposition we mean the superposition of $`F(2p)^2`$ terms for up to $`p=\frac{d}{2}`$ for even $`d`$ and $`p=\frac{d1}{2}`$ for odd $`d`$, above which these terms become total divergences..

The generalisation of (10) for the case with YM content up to the $`p=3`$ member is

$`m^{}`$ $`=`$ $`{\displaystyle \frac{1}{8}}r^{d2}(\tau _1[N\left({\displaystyle \frac{w^{}}{r}}\right)^2+{\displaystyle \frac{1}{2}}(d3)\left({\displaystyle \frac{w^21}{r^2}}\right)^2]`$ (12)
$`+`$ $`{\displaystyle \frac{3}{2}}\tau _2(d3)(d4)\left({\displaystyle \frac{w^21}{r^2}}\right)^2\left[N\left({\displaystyle \frac{w^{}}{r}}\right)^2+{\displaystyle \frac{1}{4}}(d5)\left({\displaystyle \frac{w^21}{r^2}}\right)^2\right]`$ (13)
$`+`$ $`{\displaystyle \frac{147}{160}}\tau _3(d3)(d4)(d5)(d6)\left({\displaystyle \frac{w^21}{r^2}}\right)^4[N\left({\displaystyle \frac{w^{}}{r}}\right)^2+{\displaystyle \frac{1}{6}}(d7)\left({\displaystyle \frac{w^21}{r^2}}\right)^2])`$ (14)
in which the mass function $`m(r)`$ can incorporate all possible GB terms allowed in the given dimensions .

Setting $`w(r)0`$ in (14), and then integrating it, we find for $`d=5`$:

$$m(r)=\frac{\tau _1}{8}\mathrm{ln}r+C_5$$
(15)
while for $`d=9`$, we have:

$$m(r)=\frac{3}{32}\tau _1r^4+\frac{45}{8}\tau _2\mathrm{ln}r\frac{441}{128}\tau _3r^4+C_9$$
(16)
and for $`d=13`$:

$$m(r)=\frac{5}{16}\tau _1r^8+\frac{135}{4}r^4+\frac{9261}{16}\mathrm{ln}r+C_{13}$$
(17)
with $`C_5`$, $`C_9`$ and $`C_{13}`$ being the respective integration constants. Clearly, for $`d=5`$, $`9`$, $`13`$, these solutions have infinite energy and are not regular at the origin. A $`d=5`$ solution with logarithmically divergent mass was also found in  and was named “quasi-asymptotically” flat.

We can look for horizons of these solutions, at which $`N(r=r_h)=0`$. For $`d=5`$ and $`\kappa _2=0`$ (which is the case, we are interested in mainly in this paper), we then have from (6)

$$N(r_h=0)\frac{n_d}{\kappa _1r^2}\left(\frac{\tau _1}{8}\mathrm{ln}(r)+C_5\right)=1$$
(18)
which has solutions if $`C_5>0`$. For an extremal solution, for which in addition we have $`\frac{N}{r}|_{r=r_h^{ex}}=0`$, we find that

$$r_h^{ex}=\sqrt{\frac{n_d\tau _1}{16\kappa _1}}.$$
(19)
Thus, indeed, magnetically charged black hole solutions exist in $`d=5`$. However, these have logarithmically divergent energy.

For $`d5`$, $`9`$, $`13`$ we find from (14):

$`r^{d+1}m(r)`$ $`=`$ $`{\displaystyle \frac{d3}{16}}(Cr^{d+1}+{\displaystyle \frac{\tau _1}{d5}}r^4+{\displaystyle \frac{3}{4}}{\displaystyle \frac{\tau _2}{d9}}(d4)(d5)r^8`$ (20)
$`+`$ $`{\displaystyle \frac{49}{160}}{\displaystyle \frac{\tau _3}{d13}}(d4)(d5)(d6)(d7)r^{12})`$ (21)
where $`C`$ is an integration constant.

Now gravitational equations, for example (14), support RN-type solutions  if the right hand side of (21) is proportional to :

$$ar^{d+1}br^{42d},a,b\mathrm{constants}.$$
(22)
The $`r^{d+1}`$ expression is the Schwarzschild-like term and $`a`$ is related to the mass of the solution, while the $`r^{42d}`$ part denotes a RN type term with $`b`$ being related to the global charge. Comparing the powers of $`r`$ on the right hand side of (21) with (22) shows that in the example at hand there are only three cases wherethis can be fulfilled for $`a0`$, $`b0`$

* $`\tau _2=\tau _3=0`$ and $`d=4`$: This is the chase of the usual EYM equations in $`4`$ dimensions , which was shown to have an embedded RN solution .
* $`\tau _1=\tau _3=0`$ and $`d=6`$: In this case, an embedded RN solution is possible, however due to the absence of the standard YM term it seems rather unphysical.
* $`\tau _1=\tau _2=0`$ and $`d=8`$: In this case too, an embedded RN solution is possible, which again is rather unphysical in the absence of the standard YM term.

It follows by induction from the above argument that RN type solutions can be embedded by the above prescription, only in those generalised EYM systems consisting of a single YM member, namely that with $`p=\frac{d2}{2}`$. One conclusion that may follow from this is, that for EYM systems with multi-member YM sector, there may be no multi-node solutions at all, since in $`d=4`$ the existence of multinode solutions is initmately tied up with the existence of limiting RN field configurations.

For all other cases, no RN type solutions are possible. However, there exists an embedded solution for all $`d`$, namely the Schwarzschild solution. This can be easily seen by setting $`w=\pm 1`$ in (10) and using the relation between $`m`$ and $`N`$.

## IV Generalised Bartnik-McKinnon solutions

### A The boundary conditions

We require asymptotic flatness and finite energy. Thus the boundary conditions at infinity read:

$$\sigma (r=\mathrm{})=1,w(r=\mathrm{})=(1)^k$$
(23)
with $`k=1,2,3,\mathrm{}.`$ being the node number of the gauge field function $`w(r)`$. For odd $`k`$, the gauge field function at infinity behaves like:

$$w(r\mathrm{})=1+\frac{C}{r^{d3}},$$
(24)
while for even $`k`$, we have:

$$w(r\mathrm{})=1\frac{C}{r^{d3}}.$$
(25)
The requirement of regularity at the origin leads to the conditions  :

$$m(0)=0,w(0)=1.$$
(26)
From here on, we specialise to the spacetime dimension $`d=5`$.

### B Numerical results

In this section we present the results we obtained for the two cases corresponding to $`p=1`$ and $`p=2`$ gravity in $`d=5`$ space-time dimensions.

When the two mixing parameters $`\tau _1,\tau _2`$ are non-zero we can set them equal to particular values without losing generality. This can be done by an appropriate rescaling of the overall Lagrangian density and of the radial variable. So we take advantage of this freedom and choose $`\tau _1=8,\tau _2=8/3`$ (this simplifies the numerical coefficients in the equations).

#### 1 $`\kappa _10`$, $`\kappa _2=0`$

This case corresponds to the case of pure Einstein-Hilbert gravity. We define $`\alpha ^2n_d/(2\kappa _1)`$. The limit $`\alpha ^20`$ then corresponds to the flat case. As was already noticed in , Derrick’s theorem does not allow regular solutions in the flat limit, and our numerical analysis indeed confirms this expectation. However for $`\alpha ^2>0`$, we were able to construct regular solutions. This is remarkable, since it was observed in , that no finite energy solutions exist for $`\tau _2=0`$. As expected the inclusion of the second term of the Yang-Mills hierarchy leads to the possibility of having finite energy solutions. These solutions exist up to a maximal value, $`\alpha _{max}`$, of the parameter $`\alpha `$. We find numerically $`\alpha _{max}^20.28242`$.

Although no regular solution exist in the flat limit, some comments are in order here. In our equations only the coupling to gravity fixes the scale and prevents the solution from shrinking to zero. Rescaling the radial variable according to $`y=\alpha r`$, we see that the right hand side of (11) vanishes in the $`\alpha 0`$ limit while the term proportionnal to $`\tau _2`$ in (8) gets multiplied by $`\alpha ^4`$. Therefore, taking the limit $`\alpha =0`$ leads to the following form for (8) :

$$\frac{d}{dy}(y\frac{dw}{dy})2w(w^21)=0$$
(27)
which is nothing else but the equation of the YM instanton  in $`4`$-dimensional flat space. Its solution is $`w(y)=(1y^2)/(1+y^2)`$ and it has mass $`M=8/3`$, in complete agreement with our numerical solution.

When $`\alpha ^2`$ increases, we observe that the mass decreases, and that both, the value $`\sigma (0)`$ and the minimum $`N_m`$ of the function $`N(r)`$ decrease, as indicated in Fig. 1.

The stopping of the main branch of solutions at $`\alpha ^2=\alpha _{max}^2`$ strongly suggest the existence of a second branch of solutions. We indeed confirmed this numerically. We found another branch of solutions on the interval $`\alpha ^2[\alpha _{cr(1)}^2,\alpha _{max}^2]`$ with $`\alpha _{cr(1)}^20.1749`$. On this second branch of solutions, both $`\sigma (0)`$ and $`N_m`$ continue to decrease but stay finite. However, a third branch of solutions exists for $`\alpha ^2[\alpha _{cr(1)}^2,\alpha _{cr(2)}^2]`$ , $`\alpha _{cr(2)}^20.1778`$ on which the two quantities decrease further. Progressing on this succession of branches the main observation is that the value $`\sigma (0)`$ decreases much quicker that $`N_m`$ as illustrated in Fig. 1. In Fig. 2, we compare the profiles of the functions $`N`$, $`\sigma `$ and $`w`$ for the same value of $`\alpha ^2`$ on the first and third branch. The pattern strongly suggests that after a finite (or infinite) number of branches the solution terminates into a singular solution with $`\sigma (0)=0`$. The existence of a series of branches in $`d=5`$, albeit in a different model, has already been observed in .

Since our equations generalise the Bartnik-McKinnon (BM) equations, which admit a sequence of regular, finite energy solutions indexed by the number of nodes of the gauge function $`w(r)`$ , we have tried to construct the counterparts of these multi-node solutions for $`d=5`$. However, we have not succeeded in constructing them. Our numerical technique was to start from the two-node BM solution for $`d=4`$ and to solve the equations while increasing the dimension $`d`$ gradually. At $`d=4`$ the $`p=2`$ YM term trivialises, but when $`d`$ increases to values higher than $`4`$, the $`p=2`$ YM terms comes into play. We found that the BM solution is indeed deformed for $`5>d>4`$ and that the position of the two nodes is a function of $`d`$. In the limit $`d5`$ our numerical procedure indicates that the position of the second node reaches out to infinity. This provides an argument that - if multi-node solution would exist at all in the $`d=5`$ case - it will be very difficult to construct them.

#### 2 $`\kappa _1=0`$, $`\kappa _20`$

When gravity just reduces to the Gauss-Bonnet term ($`\kappa _1=0`$) then from (6) we find the relation between $`N`$ and $`m`$ to be:

$$12\sqrt{m(r)\frac{4}{\kappa _2}}=N(r).$$
(28)
Clearly, this is not an asymptotically flat solution, since $`m(\mathrm{})`$, which is proportional to the mass of the solution, should be non-zero. For large $`r`$, we can assume the mass function to be approximately constant $`m(r>>1)m_{\mathrm{}}=const.`$. Moreover, we can assume $`\sigma (r>>1)1`$. Following a similar argument as in  and rescaling the $`t`$ and $`r`$ coordinate, we end up with a metric which has a deficit angle:

$$ds^2=d\stackrel{~}{t}^2+d\stackrel{~}{r}^2+\left(12\sqrt{m_{\mathrm{}}\frac{4}{\kappa _2}}\right)\stackrel{~}{r}^2d\mathrm{\Omega }_3^2.$$
(29)
Thus a $`3`$ dimensional hypersphere of radius $`r`$ has surface area $`2\pi ^2r^3\left(12\sqrt{m_{\mathrm{}}\frac{4}{\kappa _2}}\right)`$.

#### 3 $`\kappa _10`$, $`\kappa _20`$

Considering small values of $`\kappa _2`$, the solutions hardly differ from the pure Einstein-Hilbert gravity solutions. When the Gauss-Bonnet coupling constant becomes of the same order as $`\kappa _1`$ noticable differences appear. For instance, for $`\kappa _2=\kappa _1`$ we have constructed solutions on the first branch up to $`\alpha ^20.5`$. The construction of further branches in this case appears to be numerically very difficult.

## V Generalised Coloured Black hole solutions

### A Boundary conditions

Since we are still considering asymptotically flat, finite energy solutions, the boundary conditions (23) are till valid.

Furthermore, black holes solutions are characterized by an horizon $`rx_h`$ at which the metric function $`N`$ vanishes : $`N(x_h)=0`$. This leads (for $`\kappa _2=0`$) to the condition :

$$m(x_h)=\frac{\kappa _1}{n_D}x_h^{d3}.$$
(30)
The requirement of regularity of the gauge function $`w(r)`$ at $`x_h`$ leads to the following condition :

$`\tau _1(r^6N^{}w^{}(d3)r^4w(w^21))`$ (31)
$`+`$ $`{\displaystyle \frac{\tau _2}{2}}(d4)(d3)(w^21)(r^2N^{}w^{}(w^21)(d5)w(w^21)^2)|_{r=x_h}=0.`$ (32)
### B Horizon properties

The surface gravity  of the $`d=5`$ black hole, which is proportional to the temperature $`T`$ of the black hole: $`T=\kappa _{sg}/(2\pi )`$, is given by:

$$\kappa _{sg}^2=\frac{1}{4}g^{tt}g^{rr}(_rg_{tt})^2$$
(33)
which gives:

$$\kappa _{sg}=\sigma _{x_h}\left(\frac{1}{x_h}\frac{\alpha ^2}{x_h^3}(w_{x_h}^21)^2\right),$$
(34)
where $`\sigma _{x_h}`$ and $`w_{x_h}`$, respectively, denote the values of the metric function $`\sigma `$ and the gauge field function $`w`$ at the horizon. As expected for spherically symmetric solutions, the expression (34) clearly shows that the surface gravity is constant at the horizon, thus the non-abelian black hole solutions fulfill the 0. Law of black hole mechanics .

Like the Gaussian curvature given by $`R`$, the curvature of a black hole can also be described by the Kretschmann scalar. For the 5-dimensional Kretschmann scalar $`K=R^{ABCD}R_{ABCD}`$,$`A,B,C,D=0,1,2,3,4`$, at the horizon $`x_h`$ we find:

$$K|_{x_h}=9(N^{^{}}|_{x_h})^2(\frac{\sigma ^{^{}}}{\sigma }|_{x_h})^2+6N^{^{}}|_{x_h}N^{^{\prime \prime }}|_{x_h}\frac{\sigma ^{^{}}}{\sigma }|_{x_h}+(N^{^{\prime \prime }}|_{x_h})^2+6\frac{(N^{^{}}|_{x_h})^2}{x_h^2}+\frac{12}{x_h^4}.$$
(35)
This can be further evaluated by inserting the following expressions into (35):

$$\frac{\sigma ^{^{}}}{\sigma }|_{x_h}=2\alpha ^2(w^{^{}}|_{x_h})^2\left(1+\frac{(w_{x_h}^21)^2}{x_h^4}\right),$$
(36)
$$N^{^{}}|_{x_h}=\frac{2\alpha ^2}{x_h^3}(w_{x_h}^21)^2+\frac{2}{x_h}$$
(37)
and

$$N^{^{\prime \prime }}|_{x_h}=\frac{10\alpha ^2}{x_h^4}(w_{x_h}^21)^2\frac{8\alpha ^2w_{x_h}w^{^{}}|_{x_h}}{x_h^3}\frac{2\alpha ^2}{x_h}N^{^{}}|_{x_h}(w^{^{}}|_{x_h})^2\left(1+\frac{8}{x_h^4}(w_{x_h}^21)^2\right)$$
(38)
We can thus express the Kretschmann scalar at the horizon in terms of $`w_{x_h}`$, $`w^{^{}}|_{x_h}`$ and the horizon $`x_h`$ itself.

### C Numerical results

Here we limit our analysis to the case $`\kappa _2=0`$. We find that in analogy to the non-abelian black holes in $`d=4`$ Einstein-Yang-Mills-Higgs (EYMH) theory , the $`d=5`$ black hole solutions exist in a limited domain of the $`\alpha `$-$`x_h`$-plane. For small values of the gravitational coupling $`\alpha ^{(4)}`$, the EYMH solutions exist up to a maximal value of the horizon $`x_h^{(4)}=x_{h(max)}^{(4)}`$ and on a second branch of solutions bifurcate with the branch of non-extremal Reissner-Nordström (RN) solutions at $`x_h^{(4)}=x_{h(cr)}^{(4)}`$. Both, $`x_{h(max)}^{(4)}`$ and $`x_{h(cr)}^{(4)}`$ are increasing functions of $`\alpha ^{(4)}`$. On the two branches, the value of the gauge field function at the horizon decreases monotonically from 1 to 0 at $`x_{h(cr)}^{(4)}`$ such that the limiting solution is identical to the RN solution on the full interval $`r^{(4)}ϵ[x_{h(cr)}^{(4)}:\mathrm{}]`$. For fixed $`x_h^{(4)}`$ and large $`\alpha ^{(4)}`$, the situation changes and the solutions bifurcate with the branch of extremal RN solutions forming a degenerate horizon for $`\alpha ^{(4)}=\alpha _{(cr)}^{(4)}=x_{h(RN)}`$. Now, however, the limiting solution can only be described by the extremal RN solution for $`r^{(4)}ϵ[x_{h(RN)}^{(4)}:\mathrm{}]`$. On the interval $`r^{(4)}ϵ[x_h^{(4)}:x_{h(RN)}^{(4)}]`$, the solution is non-trivial and non-singular. Since (as argued in a preceeding section of this paper), there are no RN solutions in $`d=5`$, we find a qualitatively different domain of existence for the $`d=5`$ black holes. For fixed $`\alpha `$, we find the following maximal values of $`x_{h(max)}`$ up to which the non-abelian solutions exist:

Table 1

| $`\alpha ^2`$ | $`0.025`$ | $`0.05`$ | $`0.10`$ | $`0.15`$ | $`0.20`$ | $`0.25`$ | $`0.27`$ |
| --- | --- | --- | --- | --- | --- | --- | --- |
| $`x_{h(max)}`$ | $`0.470`$ | $`0.468`$ | $`0.431`$ | $`0.385`$ | $`0.322`$ | $`0.220`$ | $`0.141`$ |

This describes rather a semi-circle than the complicated pattern found in . Extending backwards in $`x_h`$, we find a second branch of solutions for $`x_h<x_{h(max)}`$. Progressing on this branch, the value $`\sigma (0)`$ drastically decreases as shown in Fig. 3. We believe that the second branch stops at $`x_{h(cr)}^{(1)}0.2329`$. This is indicated by the slight “curling” of $`w_{x_h}`$. We believe that a third branch exists on which the value $`\sigma (0)`$ continues to decrease further to zero. However, it is likely that the extension of this branch in $`x_h`$ will be very small, which might be the reason why we were unable to find it so far. That we are close to the critical solution is also indicated by the surface gravity $`\kappa _{sg}`$. It drops down very quickly on the second branch and likely tends to zero in the limit of the critical solution. We have also evaluated the Kretschmann scalar at the horizon. We find that a sharp increase in the curvature at the horizon is seen close to the critical solution. We find, for example, that on the second branch $`K|_{x_h}3970`$ for $`x_h=0.235`$, while $`K|_{x_h}23992`$ for $`x_h=0.23295x_{h(cr)}`$.

In Fig. 4, we show the functions $`w`$, $`\sigma `$ and $`N`$ for the same values of $`\alpha ^2`$ and $`x_h`$ on the two different branches. Clearly, these are distinct solutions.

Finally, in Fig. 5 we present the terminating solution that we were able to construct on the second branch for $`x_h=0.23295`$. It is clearly seen in comparison to Fig. 4 that $`\sigma `$ has a very large rise in value close to the horizon and then in a small interval of the coordinate $`r`$ rises nearly linearly to its asymptotic value $`1`$.

## VI Conclusions and Summary

The idea that our space-time consists of more than four dimensions is not new and has been long discussed in string theory. It is by now an accepted fact that bosonic string theory is only consistent in $`d=26`$ space-time dimensions, while fermionic string theory “lives” in $`d=10`$ space-time dimensions. Extra dimensions have recently gained additional interest in the context of the Randall-Sundrum models . These are basically $`5`$-dimensional space-times in which gravity lives in the full $`5`$ dimensions, while the remaining fields are confined to 3-branes.

The study of soliton solutions in classical field theories coupled to gravity leads in general to a rich pattern of phenomena. A proof that the study of non-abelian gauge fields interacting with gravity is indeed worthwhile was the discovery of particle-like solutions, the Bartnik-McKinnon solutions, in the coupled Einstein-Yang-Mills (EYM) system . It is also remarkable that non-abelian black holes, i.e. black holes which violate the “No-hair” conjecture, can be constructed in non-abelian gauge theories coupled to gravity. One of the most famous examples are the coloured black hole solutions constructed in EYM theory.

All this gives motivation to study the counterparts of the Bartnik-McKinnon and coloured black hole solutions in non-abelian gauge field theories coupled gravity in more than four dimensions. Since in low energy effective actions higher order curvature terms (Gauss-Bonnet terms) as well as higher order terms from the Yang-Mills hierarchy (Born-Infeld terms) appear, these should be taken into account when studying solutions in $`d>4`$. Here we have studied a $`5`$ dimensional model which consists of the first two terms of the gravitational and Yang-Mills hierarchies, respectively. We have solved the system of coupled differential equations numerically.

While without higher order Yang-Mills curvature terms no globally regular, finite energy solutions are possible , we find that in our model they exist. A number of branches exist which terminate into a singular solution. These solutions, which are the analogues of the BK solution  and are hence expected like the latter to be sphaleron like, in other respects differ from these. Most importantly these solutions exhibit branches more akin to those in EYMH theory . This is not too surprising since like the latter, our model features dimensionful constants.

In passing we remark that unlike the BK solutions which consist of an infinite sequence with multiple nodes, it seems most unlikely that there should be any multinode solutions in any EYM model featuring more than one YM term, as in our case.

We have also constructed non-abelian black holes. We find two branches of solutions. We were unable to reach the limiting solution in this case, however our numerical results indicate that the black hole solutions bifurcate with a singular solution which has zero surface gravity and a very huge, if not infinite curvature at the horizon.

Acknowledgements This work forms part of Enterprise–Ireland projects IC/02/005 and SC/00/020. BH was supported by an EPSRC grant. YB gratefully acknowledges the Belgian F.N.R.S. for financial support.
Note added We gratefully acknowlegde the unknow referee for his constructive comments, especially for pointing out the relation of our solutions with the 4-dimensional instanton.


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# Quantum Information Processing by NMR using strongly coupled spins

## I Introduction

The theoretical success of exploiting the quantum nature of physical systems in certain information processing tasks like prime factorization  and unsorted database search  has motivated the pursuit for the practical realization of Quantum Information Processing (QIP) . With the demonstration of many quantum algorithms, Nuclear Magnetic Resonance (NMR) is now considered as a suitable test-bed for QIP. One of the main challenges for the progress of NMR QIP is “how to increase the number of qubits?”. In this direction several attempts are being made, such as (i) find molecules with different chemical shifts and J-couplings, and (ii) use of dipolar and quadrupolar couplings. This paper concentrates on one aspect: “how to use dipolar couplings among homonuclear spins?”. This problem is outlined in the following paragraphs.

In NMR, systems consisting of coupled spin-1/2 nuclei form qubits. In order to carry out QIP, the spin-system has to meet two main requirements: qubit addressability and mutual coupling among the qubits. In liquid state NMR using isotropic fluids, the qubit addressability is normally provided by the differences in Larmor frequencies of the various spin-1/2 nuclei, while the mutual coupling is normally provided by the scalar (J) coupling among the nuclei connected by covalent bonds. The Hamiltonian for a J-coupled spin system is ,

$``$ $`=`$ $`_Z+_J`$ (1)
$`=`$ $`{\displaystyle \underset{i}{}}\omega _iI_{iz}+{\displaystyle \underset{i,j(i<j)}{}}2\pi J_{ij}(I_{iz}I_{jz}+I_{ix}I_{jx}+I_{iy}I_{iy})`$ (2)
where $`_Z`$ is the Zeeman Hamiltonian, and $`_J`$ is the coupling Hamiltonian. When $`2\pi J_{ij}|\omega _i\omega _j|`$, the system is said to be weakly coupled, and the Hamiltonian can be approximated to ,

$`={\displaystyle \underset{i}{}}\omega _iI_{iz}+{\displaystyle \underset{i,j(i<j)}{}}2\pi J_{ij}I_{iz}I_{jz}`$ (3)
For qubit addressability, all $`\omega _i`$ should be sufficiently dispersed and all $`J_{ij}`$ should be non-negligible ($`>`$ 1Hz) and unequal in magnitude. In such a circumstance each spin can be treated as a qubit and the coupled nuclei as several qubits. The values of $`J_{ij}`$ depend on the covalent bonds connecting spins i and j, and normally has a small range ($`<10^2`$ Hz) and becomes too small ($`<1`$ Hz) if the spins are connected by more than 4-5 covalent bonds. This places a natural limit on the number of qubits reachable by liquid state NMR using J-couplings alone. To overcome this limitation the possibility of using dipolar couplings was considered. The truncated Hamiltonian for dipolar interaction is ,

$`_D={\displaystyle \underset{i,j(i<j)}{}}2\pi D_{ij}(3I_{iz}I_{jz}𝐈_𝐢.𝐈_𝐣)`$ (4)
The dipolar coupling $`D_{ij}`$, between spins of gyromagnetic ratios $`\gamma _i`$ and $`\gamma _j`$ whose inter-distance vector $`r_{ij}`$ makes an angle $`\theta _{ij}`$ with the Zeeman magnetic field is of the form ,

$`D_{ij}={\displaystyle \frac{\gamma _i\gamma _j\mathrm{}}{4\pi r_{ij}^3}}(13cos^2\theta _{ij})`$ (5)
Dipolar couplings among common nuclear species have larger magnitudes ($``$ $`10^3`$ Hz) and longer range than the scalar couplings. However, in isotropic liquids the time average of $`D_{ij}`$ vanishes, while in solids there are too many dipolar couplings resulting in broad unresolved lines and loss of qubit addressability. In molecules oriented in a liquid crystal matrix, while the intermolecular dipolar couplings are vanishingly small, the intra molecular dipolar couplings survive, scaled down by the order parameter $`(S_{ij})`$ of the liquid crystal ,

$`D_{ij}^{ori}={\displaystyle \frac{\gamma _i\gamma _j\mathrm{}}{4\pi r_{ij}^3}}<13cos^2\theta _{ij}>={\displaystyle \frac{\gamma _i\gamma _j\mathrm{}}{4\pi r_{ij}^3}}S_{ij}`$ (6)
In such systems one obtains a finite number of sharp well resolved spectral lines making it possible to use such systems for NMR-QIP. In the NMR-QIP experiments implemented so far, the systems have been chosen such that either (i) $`2\pi (J_{ij}+2D_{ij})|(\omega _i\omega _j)|`$, yielding weakly coupled spin-systems which is the case for the heteronuclear spin-systems  or (ii) the coupling $`2(J_{ij}+2D_{ij})`$ is finite and $`|\omega _i\omega _j|`$ = 0, i.e., equivalent-spins case . In the latter case, the symmetry filtering of energy levels become increasingly difficult for higher number of qubits . Even though the heteronuclear spins oriented in liquid crystal matrix are excellent for QIP since they provide very good qubit addressability as well as large mutual coupling, the use of more than 3 to 4 heteronuclear spins is limited by the extensive hardware requirements. Therefore for reaching larger number of qubits, one needs to utilize homonuclear (nuclei of same species having same $`\gamma `$ but different chemical shifts ) spins oriented in a liquid crystal.

Homonuclear spins oriented in a liquid crystal generally become strongly coupled since the dipolar couplings become comparable to or more than the differences in Larmor frequencies $`|\omega _i\omega _j|`$. In such a situation, the Zeeman and the coupling parts of the Hamiltonian do not commute. Therefore the eigenstates of strongly coupled spins are obtained as the linear combinations of product states of various spins and the individual spins can no more be treated as qubits. We propose and demonstrate here that, the $`2^N`$ eigenstates of a coupled N-spin 1/2 system can be treated as an N qubit system even in the presence of strong coupling. Similar idea has already been used in demonstration of QIP using quadrupolar (S $`>`$1/2) nuclei oriented in high magnetic field, where the 2S+1 non-equidistant energy levels have been treated as N-qubit systems, where $`2^N=2S+1`$. So far S=3/2 and 7/2 have been utilized respectively as 2 and 3 qubit systems , for various NMR-QIP.

While substantial work has been carried out in NMR-QIP using weekly coupled spin systems , till now the use of the strongly coupled spin systems for QIP has not been experimentally demonstrated, presumably because (i) spin-selective pulses are not defined in the case of strongly coupled spins , and (ii) the difficulty in constructing a general unitary operator using the evolution under scalar coupling . The problem of using scalar coupling evolution of a strongly coupled two-spin system for a general unitary transform has recently been addressed theoretically, but extending to a N-spin system is complicated . However, we note that unlike spin-selective pulses, the transition-selective pulses are well defined even in strongly coupled spin-systems  and hence it is possible to construct a unitary transformation using transition selective pulses. In section II we demonstrate NMR-QIP on a strongly coupled two spin-system in isotropic medium by preparing pseudopure states, implementing DJ algorithm, by creating Einstein-Podolsky-Rosen (EPR) state and by implementing logic gates. Section III describes the creation of Greenberger-Horne-Zeilinger (GHZ) states and implementation of two-qubit DJ algorithm on a strongly coupled three spin system in an oriented medium after labeling the transitions using the Z-COSY experiment. Labeling of transitions, preparation of pseudopure states, and implementation of gates on a four-spin strongly coupled system are demonstrated in section IV.

In this study the strongly coupled systems used are:

| Sl. No. | Sample | Solvent | Isotropic/ Oriented | No. of qubits |
| --- | --- | --- | --- | --- |
| 1 | Trisodium citrate | $`D_2`$O | Isotropic | 2 |
| 2 | Organometallic compound (I) | CDCl3 | Isotropic | 2 |
| 3 | 1-bromo-2,3-dichlorobenzene | ZLI-1132 | Oriented | 3 |
| 4 | 2-chloroiodobenzene | ZLI-1132 | Oriented | 4 |

The experiments have been carried out on a Bruker DRX-500 NMR spectrometer at 300K temperature.

## II Two-spin strongly coupled system

The four eigenstates of a strongly coupled two-spin system (of spin 1/2 nuclei; AB spin-system) in isotropic medium are, $`|\alpha \alpha `$, $`\mathrm{cos}\mathrm{\Theta }|\alpha \beta +\mathrm{sin}\mathrm{\Theta }|\beta \alpha `$, $`\mathrm{cos}\mathrm{\Theta }|\beta \alpha \mathrm{sin}\mathrm{\Theta }|\alpha \beta `$, and $`|\beta \beta `$ (Figure 1(a)), where $`\mathrm{\Theta }=\frac{1}{2}\mathrm{tan}^1(2\pi J_{AB}/(\omega _A\omega _B))`$ . These eigenstates are labeled respectively as $`|00`$, $`|01`$, $`|10`$, and $`|11`$, thus forming a two-qubit system (Figure 1(b)). To demonstrate QIP on such a system, we have taken the strongly coupled 1H spins of trisodium citrate (Figure 1(c)). In this system, the scalar coupling (J) is 15 Hz, the difference in Larmor frequencies ($`\mathrm{\Delta }f`$) is 55.5 Hz, and the strong coupling parameter ($`\mathrm{\Theta }`$) is $`7.6^{}`$. The equilibrium spectrum of the system is shown Figure 1(d).

### A Preparation of Pseudopure states

In QIP, the computation normally begins from a definite initial state known as a pure state . In NMR however because of the small energy gaps, it is not possible to realize a pure state, wherein the whole population is in one energy level, since it requires very low temperatures as well as very high magnetic fields. However, an alternate solution was discovered to overcome this problem . In thermal equilibrium, NMR density matrix can be written as

$$\rho =2^N\{I+ϵ\rho _{dev}\}.$$
(7)
The first part is a normalized unit matrix which corresponds to a uniform population background. The second part containing the traceless deviation density matrix $`\rho _{dev}`$ (with a small coefficient $`ϵ10^5`$) evolves under various NMR Hamiltonians, and gives measurable signal. It was observed independently by Cory et al  and Chuang et al , that by applying certain pulse sequence to the system in equilibrium, we can prepare the so called pseudopure density matrix,

$$\rho _{pps}=2^N\{(1ϵ^{}/2^N)I+ϵ^{}\rho _{pure}\}.$$
(8)
The first part is again a scaled unit matrix, but the second part corresponds to a pure state. Such pseudopure states mimic pure states . Many methods have been proposed for the preparation of pseudopure states including spatial averaging , temporal averaging , logical labeling , and spatially averaged logical labeling . Some of the other methods include the preparation of pseudopure states via cat states  and preparation of pair of pseudopure states . Both J-evolution and transition selective pulse methods have been utilized for preparation of pseudopure states .

We have adopted the method of spatial averaging using transition selective pulses. The Boltzmann distribution of populations at high-temperature approximation is linear with energy gap. The equilibrium populations (in excess of a large uniform background population) of a homonuclear two spin system is given in Fig 2(a). For creating a pseudopure state all the populations except one of the states have to be equalized. This distribution can be achieved by a sequence of transition selective pulses intermittent with field gradient pulses to destroy any coherence created in the process.

A transition-selective pulse of nutation angle $`\theta `$ and of any transverse phase between states $`(i,j)`$, changes the populations as follows:

$`p_i^{}`$ $`=`$ $`p_i\mathrm{cos}^2(\theta /2)+p_j\mathrm{sin}^2(\theta /2)`$ (9)
$`p_j^{}`$ $`=`$ $`p_j\mathrm{cos}^2(\theta /2)+p_i\mathrm{sin}^2(\theta /2).`$ (10)
To prepare the $`|00`$ pseudopure state (Fig 2(b)) from equilibrium (Fig 2(a)), we use a sequence $`[(\theta )^{|10|11}G_z(90^{})^{|01|11}G_z^{}]`$ (pulses are applied from left to right), and it is inferred from the deviation populations of Fig 2(a) and (b), that $`\theta `$ should be such that $`\mathrm{cos}^2(\theta /2)`$=2/3. This yields $`\theta =70.5^{}`$. $`\theta =90^{}`$ on the other hand equalizes the populations of the two levels to an average value. Thus, the $`|00`$ pseudopure state is prepared by the pulse sequence $`[(70.5^{})^{|10|11}G_z(90^{})^{|01|11}G_z^{}]`$ and the corresponding spectrum is given in Fig. 2(b). The $`|01`$ and $`|10`$ pseudopure states (Figure 2(c), 2(d)) are respectively prepared by applying respectively $`(180^{})^{(|00|01)}`$ and $`(180^{})^{(|00|10)}`$ pulse after creating the $`|00`$ pseudopure state. The $`|11`$ pseudopure state (Figure 2(e)) is prepared by the pulse sequence $`(70.5^{})^{(|00|01}G_z(90^{})^{|00|10}G_z^{}`$. The observed intensities in the spectra on the left hand side of Fig. 2 correspond to the created population distribution and hence confirm the creation of the pseudopure states.

### B Deutsch-Jozsa Algorithm

Deutsch-Jozsa (DJ) algorithm is one of the first quantum algorithms which successfully demonstrated the power of QIP . The task of DJ algorithm is to distinguish between two classes of many-input-one-output functions, constant and balanced. Constant functions are those functions in which all the outputs are same independent of inputs; and balanced functions are those in which half the number of inputs give one output and the other half gives another output. Classically, given a function of n input bits, it takes $`2^{n1}+1`$ function-calls on an average, to determine whether the function is constant or balanced, whereas DJ algorithm needs only one function-call for any number of qubits. DJ algorithm has been implemented in NMR using scalar coupling evolution as well as using spin and transition selective pulses . We have followed Cleve’s version of DJ algorithm which requires one extra work qubit . The circuit diagram and the NMR pulse sequence for implementing 1-qubit DJ algorithm are shown in Figures 3(a) and 3(b) respectively. The experiment begins with the $`|00`$ pseudopure state. An initial $`(\pi /2)_y`$ pulse (the pseudopure Hadamard operation ) on all the qubits creates a superposition. It may be noted that unlike weakly coupled spins the superposition created here is not uniform in the eigenbasis, since the coefficients of various eigenstates are different. However, as is shown here it is still possible to distinguish between the different classes of functions. The Hadamard operation is followed by an unitary operator $`U_f`$ corresponding to the given function $`f`$. The unitary operator carries out the transformation $`|r,s\stackrel{U_f}{}|f(s)r,s`$, where $`|r`$ and $`|s`$ are the states of the work-qubit and the input-qubit respectively. The four different one-qubit functions and corresponding unitary operator as well as r.f. pulses are listed in Table 1. The test for a balanced function is that the transitions of input-qubit will gain opposite phases at the end of the algorithm. The experimental results corresponding to all the four functions $`f_1`$, $`f_2`$, $`f_3`$, and $`f_4`$ along with their corresponding simulated spectra are given in Figures 3(c)-3(f). From the spectra we can identify that functions $`f_1`$ and $`f_2`$ are constant since the transitions of 1 and 2 are of same phase, whereas $`f_3`$ and $`f_4`$ are balanced since the transitions of 1 and 2 are of opposite phase.

### C Creation of an EPR state

Einstein-Podolsky-Rosen (EPR) pairs are the maximally entangled pairs of the form

$`{\displaystyle \frac{1}{\sqrt{2}}}(|00\pm |11)\mathrm{or}`$ (11)
$`{\displaystyle \frac{1}{\sqrt{2}}}(|01\pm |10)`$ (12)
which are not reducible into product states of individual qubits . The non-local correlation exhibited by these pairs have no classical equivalence, and are exploited in many branches of quantum information processing including quantum computation and quantum teleportation . EPR states of a pair of weakly coupled nuclear spins have been earlier created by NMR using spin selective pulses and evolution of coupling .

Here we demonstrate the creation of EPR state on the above strongly coupled two-spin system using transition selective pulses and tomograph the result using non-selective pulses. Starting from $`|00`$ pseudopure state, the EPR state $`(|00+|11)/\sqrt{2}`$ can be created by applying the pulse sequence (pulses are to be applied from left to right)

$$\left[\left(\frac{\pi }{2}\right)_{\varphi _1}^k(\pi )_{\varphi _2}^l\right],$$
(13)
where $`k`$ and $`l`$ are the transitions, and $`\varphi _1`$ and $`\varphi _2`$ are the phases as shown in Table 2. For example, the unitary operator U for the pulse sequence $`\left[\left(\frac{\pi }{2}\right)_x^2(\pi )_x^3\right]`$ is

$`U`$ $`=`$ $`\mathrm{exp}\left(i\pi I_x^{|10|11}\right)\mathrm{exp}\left(i{\displaystyle \frac{\pi }{2}}I_x^{|00|10}\right)`$ (14)
$`=`$ $`{\displaystyle \frac{1}{\sqrt{2}}}\left(\begin{array}{cccc}1& 0& i& 0\\ 0& \sqrt{2}& 0& 0\\ 0& 0& 0& i\sqrt{2}\\ 1& 0& i& 0\end{array}\right),`$ (19)
where the operators are however applied from right to left. EPR state is obtained by applying $`U`$ on $`|00`$ pseudopure state

$`U\left(\begin{array}{cccc}1& 0& 0& 0\\ 0& 0& 0& 0\\ 0& 0& 0& 0\\ 0& 0& 0& 0\end{array}\right)U^{}={\displaystyle \frac{1}{2}}\left(\begin{array}{cccc}1& 0& 0& 1\\ 0& 0& 0& 0\\ 0& 0& 0& 0\\ 1& 0& 0& 1\end{array}\right)`$ (20)
A phase-cycle over different combinations given in Table 2 helps to reduce errors in the off-diagonal elements. Figure 4(a) shows the experimental equilibrium spectrum and 4(b) shows the experimental spectrum after creating the EPR state. Since EPR state does not consist of any single quantum coherence, no signal is obtained (Figures 4(b)). The corresponding simulated spectrum are also shown on the right hand side in each figure.

To verify the creation of the EPR state it is necessary to tomograph the complete density matrix. Tomography in NMR is normally carried out using spin-selective pulses obtaining a series of one-dimensional NMR experiments each giving a linear equation of different elements of the density matrix . However, in the case of strongly coupled systems, all operations including tomography excludes the use of spin selective pulses and demands either non-selective pulses or transition selective pulses or both. Recently, a robust method for tomography was suggested based on two-dimensional Fourier spectroscopy, which utilizes only non-selective pulses . This method involves:
(i) an one-dimensional experiment for measuring diagonal elements: $`[G_z10_x^{}t]`$, and
(ii) a two-dimensional multiple quantum experiment for measuring all off-diagonal elements: $`[t_1(\pi /2)_yG_z(\pi /4)_yt_2]`$. The scheme involves only non-selective pulses and therefore it is not only simple and accurate but also applicable to strongly coupled systems. The result of measurement of diagonal elements of the EPR state \[experiment (i)\] is shown in Figure 4(c) and the corresponding simulated spectrum is shown in Figure 4(h). Figure 5 shows the complete pulse-sequence for creation of EPR state followed by measurement of the off-diagonal elements \[experiment (ii)\]. The resulting 2D spectrum of experiment is given in 4(k), which clearly shows the double quantum peaks corresponding to the EPR state. No zero quantum or single quantum peaks are observed. .

Since the diagonal and off-diagonal terms are measured by two different schemes, it is necessary also to determine the scaling between the two measurements. Normally this is achieved by comparing single quantum terms in the two-dimensional experiment with the spectrum obtained by direct detection of the density matrix . However since no single quantum coherence is present in the EPR density matrix, we carried out two additional one-dimensional experiments: (iii)\[ $`(\pi /4)_yt`$\] and (iv) \[$`(\pi /4)_xt`$\] after creation of EPR pair. Experimental spectra corresponding to (iii) and (iv) are shown in Figures 4(d) and 4(e) respectively, and corresponding simulated spectra are shown in Figures 4(i) and 4(j) respectively. The signals in 4(d) are proportional to the sum of the amplitudes of diagonal and double quantum coherences of the EPR state while those in 4(e) are proportional to the differences (when single quantum coherences are not present as in the present case). Since in a perfect EPR state the diagonal elements and double quantum coherences are equal, the spectrum of Fig 4(e) should have no signal as is evident from the simulated spectrum of Fig. 4(j). The signals of Fig. 4(e) compared to Fig 4(d) are measures of experimental errors, which in the present case are estimated to be less than 15$`\%`$ . The complete density matrices corresponding to the theoretical and experimentally obtained EPR state are shown in Figures 4(l) and 4(m).

### D Implementation of Logic gates

Logic gates have been implemented earlier by one and two-dimensional NMR using weakly coupled spin-1/2 nuclei as well as quadrupolar nuclei . We demonstrate here the first implementation of a complete set of 24 one-to-one logic gates in a 2-qubit system using strongly coupled spin-1/2 nuclei. The system chosen for this purpose is the two phosphorus nuclei of the organometallic compound (I) shown in Fig. 6(a). The energy level diagram (Fig. 6(b)) and the equilibrium phosphorus spectrum of this molecule in isotropic liquid state is given in Fig. 6(c). Starting from equilibrium, the logic gates were implemented using sequences of transition selective pulses. The final populations were mapped by a small angle $`(10^o)`$ non-selective pulse. The spectra corresponding to final populations of all the 24 logic gates are given in Fig 7. The unitary transforms and pulse sequences for implementation of these gates are given in reference  with the modification that the r.f. power has been adjusted for given angle of flip for the two inner versus the two outer transitions.

## III Three-spin strongly coupled system

### A The system and labeling of transitions

The system chosen is the three strongly coupled protons of 3-bromo-1,2-dichlorobenzene (Figure 8) oriented in the nematic liquid crystal ZLI-1132. The equilibrium spectrum of the system at 300 K obtained from DRX 500 MHz spectrometer is shown in Figure 8. There are only nine out of a total 15 possible single quantum transitions with observable intensity, in this spin system. Construction of energy level diagram and labeling of transitions were performed using a Z-COSY experiment . The Z-COSY spectrum along with cross-sections parallel to $`\omega _2`$ axis at various transitions is given in Figure 9. The zero-quantum artifacts were suppressed in the Z-COSY experiment by incrementing a delay synchronized with t1 increment . The connectivity matrix is obtained by the MATLAB assisted automation

$`\begin{array}{cc}& \begin{array}{cccccccc}\hfill \mathrm{\hspace{0.33em}\hspace{0.33em}\hspace{0.33em}\hspace{0.33em}1}& \hfill 2& \hfill 3& \hfill 4& \hfill 5& \hfill 6& \hfill 7& \hfill 8\end{array}\\ & \\ & \\ \hfill \begin{array}{c}1\\ 2\\ 3\\ 4\\ 5\\ 6\\ 7\\ 8\end{array}& \left[\begin{array}{cccccccc}\hfill 0& \hfill 0& \hfill 1& \hfill 1& \hfill 0& \hfill 0& \hfill 1& \hfill 0\\ \hfill 0& \hfill 0& \hfill 1& \hfill 1& \hfill 1& \hfill 0& \hfill 0& \hfill 1\\ \hfill 1& \hfill 1& \hfill 0& \hfill 0& \hfill 1& \hfill 0& \hfill 0& \hfill 0\\ \hfill 1& \hfill 1& \hfill 0& \hfill 0& \hfill 0& \hfill 0& \hfill 1& \hfill 1\\ \hfill 0& \hfill 1& \hfill 1& \hfill 0& \hfill 0& \hfill 1& \hfill 1& \hfill 0\\ \hfill 0& \hfill 0& \hfill 0& \hfill 0& \hfill 1& \hfill 0& \hfill 1& \hfill 1\\ \hfill 1& \hfill 0& \hfill 0& \hfill 1& \hfill 1& \hfill 1& \hfill 0& \hfill 0\\ \hfill 0& \hfill 1& \hfill 0& \hfill 1& \hfill 0& \hfill 1& \hfill 0& \hfill 0\end{array}\right]\end{array}.`$ (42)
The constructed energy level diagram for the above connectivity matrix is shown in Figure 10. The ninth transition shown by dashed line belongs to the transition 011$``$100, and is not connected to any other observed transitions. Therefore the transition did not show any connectivity to other transitions in Z-COSY experiment (Figure 9) and is marked as * in Figure 8. It turns out that these nine transitions are sufficient to carry out certain QIP operations as shown in section (B),(C) and (D).

### B Preparation of Pseudopure state

We have used the method of “POPS” to prepare a pair of pseudopure states on this three-spin strongly coupled system . POPS requires only two population distributions: (i) Equilibrium populations (Fig. 11(a)) and (ii) Equilibrium populations changed by a single transition selective $`\pi `$ pulse on a given transition (Fig. 11(b)). Subtraction of (ii) from (i) yields effectively a pair of pseudopure states $`|000000||001001|`$ (Fig. 11(c)).

### C Creation of $`|\mathrm{𝖦𝖧𝖹}\mathrm{𝖦𝖧𝖹}||001001|`$ state

Entanglement between many particles is essential for most quantum communication schemes, including error-correction schemes and secret key distribution network . Greenberger-Horne-Zeilinger (GHZ) states are three-spin entangled states of the form

$$|\mathrm{𝖦𝖧𝖹}=\frac{1}{\sqrt{2}}\left(|000+|111\right)$$
(43)
Three particles in GHZ state exhibit one of the strangest correlations that can not be explained by any hidden variable theory . A set of measurements carried out on three particles in GHZ state prepare the particles in a classically impossible correlated state . In NMR, the GHZ state was first created by Laflamme et al . The correlations of the GHZ state has been studied using NMR by Nelson et al .

The preparation of GHZ state requires preparing a pseudopure initial state, like $`|000`$. However, since we have prepared pairs of pseudopure states as the initial state, we will be actually preparing a state

$$|\mathrm{𝖦𝖧𝖹}\mathrm{𝖦𝖧𝖹}||001001|.$$
(44)
This state differs from GHZ state only in the diagonal elements and therefore retains the essential correlations of the GHZ state.

The GHZ state can be created from the $`|000`$ pseudopure state using a cascade of three transition selective pulses (i) $`(\pi /2)_{\varphi _1}`$ pulse on the transition 8, (ii) $`(\pi )_{\varphi _2}`$ pulse on the transition 4 and (iii) $`(\pi )_{\varphi _3}`$ pulse on the transition 1. The pulse sequence is,

$`[\left({\displaystyle \frac{\pi }{2}}\right)_{\varphi _1}^{(8)}\pi _{\varphi _2}^{(4)}\pi _{\varphi _3}^{(1)}],`$ (45)
where pulses are to be applied from left to right. The phases $`\varphi _1`$, $`\varphi _2`$ and $`\varphi _3`$ of the pulses can be any one of the 16 possible combinations, as shown in Table 3. A phase-cycle over these combinations helps to reduce the errors in the off-diagonal elements.
The unitary operator for the above pulse-sequence can be written as,

$`U_{\mathrm{𝖦𝖧𝖹}}`$ $`=`$ $`\mathrm{exp}(i\pi I_{\varphi _3}^{(1)})\mathrm{exp}(i\pi I_{\varphi _2}^{(4)})\mathrm{exp}\left(i{\displaystyle \frac{\pi }{2}}I_{\varphi _1}^{(8)}\right),`$ (46)
where $`I_{\varphi _3}^{(1)}`$, $`I_{\varphi _2}^{(4)}`$ and $`I_{\varphi _1}^{(8)}`$ are the single transition operators on transitions 1, 4 and 8 respectively. Spectrum corresponding to the diagonal part of $`|\mathrm{𝖦𝖧𝖹}\mathrm{𝖦𝖧𝖹}||001001|`$ state is shown in Figure 11(d). It is clearly seen that in the GHZ state (Eq. 15) transitions 1,3 and 8 have approximately half the intensity of the equilibrium spectrum. Transitions 5,6 and 7 appear due to POPS. However to confirm the creation of GHZ state a complete tomography of the created GHZ state is needed. The pulse sequence for preparation of POPS, creation of $`|\mathrm{𝖦𝖧𝖹}\mathrm{𝖦𝖧𝖹}||001001|`$ state followed by tomography (using experiment (ii) of expression (13)) is given in the Figure 12(a). The 2D spectrum corresponding to the measurement of all off-diagonal elements of GHZ state is shown in Figure 12(b). Presence of only triple quantum coherence and absence of all other coherences confirms the creation of GHZ state. The axial peaks at zero frequency are $`\mathrm{\Omega }_1`$ dimension is due to the longitudinal relaxation during the $`t_1`$ period and imperfections of the $`90^o`$ pulse (see caption of Fig. 4).

### D Two-qubit DJ using two-dimensional NMR

Implementation of DJ-algorithm on two qubits requires three qubits including one work qubit. The algorithm can be described as

$$|r|s|t\stackrel{U_f}{}|r|s|tf(r,s)$$
(47)
$`|r|s`$ and $`|t`$ being the states of the two input qubits ($`I_1`$,$`I_2`$) and the work qubit ($`I_0`$) respectively. There are eight possible two-bit binary functions (f) of which two are constant and six balanced. The transformations corresponding to the constant functions $`f_1`$ and $`f_2`$ are respectively unity operator and a $`\pi `$ pulse on all the transitions of the work qubit. The unitary transformations encoding the remaining six balanced functions $`f_3f_8`$ are acheived by transition selective pulses on different transitions (3,4,9(\*),6) of the work qubit as $`[0,0,\pi ,\pi ]`$,$`[\pi ,\pi ,0,0]`$,$`[\pi ,0,\pi ,0]`$,$`[0,\pi ,0,\pi ]`$, $`[\pi ,0,0,\pi ]`$ and $`[0,\pi ,\pi ,0]`$;.
The pulse sequence for two-dimensional DJ algorithm is $`[(\frac{\pi }{2})^{I_0,I_1,I_2}t_1U_fDet(t_2)]`$. The transitions of $`I_1`$ and $`I_2`$ qubits are frequency labelled during the $`t_1`$ period and detected during the $`t_2`$ period. Fourier transformation with respect to $`t_1`$ and $`t_2`$ yields the desired two-dimensional spectrum .
The experimental result of the above operations on the strongly coupled 3-qubit system of 3-bromo-1,2-dichloro benzene is given in Figure 13. The experimental results match the expected theoretical results, confirming that two-dimensional DJ algorithm can also be carried out in a strongly coupled three spin system.

## IV Strongly coupled 4-spin system

### A Labeling of transitions

The system chosen is 2-chloroiodobenzene dissolved in ZLI-1132. The four aromatic protons form a strongly coupled 4-spin system. Equilibrium spectrum is shown in Figure 14. The transitions are labeled according to the descending order of their intensities. The total number of transitions for a 4-spin strongly coupled system is $`{}_{}{}^{2\times 4}C_{41}^{}=56`$ of which only 30 transitions have been observed with sufficient intensity. There are other transitions of smaller intensity comparable to that of 13C satellites. In order to avoid any interference due to 13C satellites we have used 13C decoupling in the experiment. Decoupling in $`t_1`$ dimension is achieved by a single $`\pi `$ pulse on 13C channel in the middle of $`t_1`$ period while that in $`t_2`$ dimension is carried out by multi-pulse decoupling sequences on the 13C channel. The Z-COSY spectrum obtained after 13C decoupling for the present system is shown in Figure 15. The spectrum consists of more than 2000 peaks. The MATLAB analysis of the spectrum is carried out. Figure 16(a) shows the connectivity and labeling of the 30 transitions of Figure 14.

### B 4-Qubit gates and pseudopure states

Figure 16 shows implementation of gates and preparation of pairs of pseudopure states using the 4-qubit system 2-chloroiodobenzene. The labeling scheme for the energy levels is shown in Figure 16(a). Figure 16(b) shows the equilibrium spectrum. A C3-NOT gate can be implemented using a single $`\pi `$ pulse on the transition 4, The spectrum corresponding to the C3-NOT gate obtained using a small angle detection pulse is shown in Figure 16(c). A pair of pseudopure states, namely, $`|11111111||11101110|`$ is prepared by subtracting the spectrum 16(c) from the equilibrium spectrum shown in 16(b). The resultant spectrum is shown in Figure 16(d). Similarly the pair of pseudopure states $`|11101110||10101010|`$ (Figure 16(e)) is prepared by inverting the transition 1 and subtracting the obtained spectrum from the equilibrium spectrum. Figure 16(f) demonstrates the implementation of C2-SWAP gate after preparing the pair of pseudopure states $`|11101110||10101010|`$. The action of C2-SWAP gate is to interchange the states $`|1110`$ and $`|1101`$. This is achieved by three transition selective pulses

$`\left[\pi ^{(4)}\pi ^{(14)}\pi ^{(4)}\right],`$ (48)
where the superscripts indicate the transition numbers. Since the states $`|1101`$ and $`|1110`$ have almost same populations in the present case, the spectrum after applying C2-SWAP gate on equilibrium input state will not be very much different from the equilibrium spectrum. However, if one starts with a pair of pseudopure states $`|11101110||10101010|`$ as the input, the output will be different pair of pseudopure states,

$`|11101110||10101010|\stackrel{\mathrm{C}^2\mathrm{𝖲𝖶𝖠𝖯}}{}|11011101||10101010|.`$ (49)
The spectrum corresponding to the state $`|11011101||10101010|`$ obtained by applying C2-SWAP gate on $`|11101110||10101010|`$ is shown in Figure 16(f). The pair of pseudopure state $`|11011101||10101010|`$ can also be prepared by inverting the transition 15 and subtracting the spectrum obtained from the equilibrium spectrum, as shown in Figure 16(g). The spectra in figures 16(f) and 16(g) match fairly well, indicating good implementation of the C2-SWAP in Figure 16(f).

## V Conclusions

Increasing the number of qubits in NMR calls for the use of the dipolar couplings in oriented homonuclear systems which are generally strongly coupled. Spin-selective pulses are not defined in the case of strongly coupled systems and qubit-addressability in such a scenario is achieved through transition selective pulses. It has been demonstrated earlier on weakly coupled systems, that using only non-selective pulses and transition-selective pulses one can implement logic gates , and algorithms such as Grover’s algorithm and Quantum Fourier Transform . Efforts are ongoing to implement these algorithms in such systems as well as to realize higher qubit systems using nuclear spins oriented in liquid crystal matrices.

## VI Acknowledgments

The authors thank Dr. Swadhin K. Mandal and Prof. S.S. Krishnamurthy of the Department of Inorganic and Physical Chemistry, Indian Institute of Science, for the organometallic compound (I). The use of DRX-500 NMR spectrometer funded by the Department of Science and Technology, New Delhi, at the Sophisticated Instuments Facility, Indian Institute of Science, Bangalore, is also gratefully acknowledged.

TABLES

Table 1. Functions, unitary operators and r.f. pulses for one-qubit DJ algorithm.

|  | Constant | | Balanced | |
| --- | --- | --- | --- | --- |
|  | $`f_1`$ | $`f_2`$ | $`f_3`$ | $`f_4`$ |
| 0 | $`0`$ | $`1`$ | $`0`$ | $`1`$ |
| 1 | $`0`$ | $`1`$ | $`1`$ | $`0`$ |
| $`U_f`$ | $`\left(\begin{array}{cccc}1& 0& 0& 0\\ 0& 1& 0& 0\\ 0& 0& 1& 0\\ 0& 0& 0& 1\end{array}\right)`$ | $`\left(\begin{array}{cccc}0& 1& 0& 0\\ 1& 0& 0& 0\\ 0& 0& 0& 1\\ 0& 0& 1& 0\end{array}\right)`$ | $`\left(\begin{array}{cccc}1& 0& 0& 0\\ 0& 1& 0& 0\\ 0& 0& 0& 1\\ 0& 0& 1& 0\end{array}\right)`$ | $`\left(\begin{array}{cccc}0& 1& 0& 0\\ 1& 0& 0& 0\\ 0& 0& 1& 0\\ 0& 0& 0& 1\end{array}\right)`$ |
| Pulse | $`nopulse`$ | $`(\pi )^{|00|01}(\pi )^{|10|11}`$ | $`(\pi )^{|10|11}`$ | $`(\pi )^{|00|01}`$ |

Table 2. Transition numbers of expression 10 and corresponding phases of the r.f. pulses for creating $`|00+|11`$ EPR state. The transition numbers are from Figure 1(b).

| Expt. | $`k`$ | $`l`$ | $`\varphi _1`$ | $`\varphi _2`$ | Expt. | $`k`$ | $`l`$ | $`\varphi _1`$ | $`\varphi _2`$ |
| --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
| No. |  |  |  |  | No. |  |  |  |  |
| 1 | 2 | 3 | x | -x | 5 | 4 | 1 | x | -x |
| 2 | 2 | 3 | -x | x | 6 | 4 | 1 | -x | x |
| 3 | 2 | 3 | y | y | 7 | 4 | 1 | y | y |
| 4 | 2 | 3 | -y | -y | 8 | 4 | 1 | -y | -y |

Table 3. The 16-step phase-cycle for preparing the GHZ state. The pulse-sequence is given in expression 45.

|  | $`\varphi _1`$ | $`\varphi _2`$ | $`\varphi _3`$ |  | $`\varphi _1`$ | $`\varphi _2`$ | $`\varphi _3`$ |  | $`\varphi _1`$ | $`\varphi _2`$ | $`\varphi _3`$ |  | $`\varphi _1`$ | $`\varphi _2`$ | $`\varphi _3`$ |
| --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- | --- |
| 1 | y | y | y | 5 | y | x | -x | 9 | x | y | -x | 13 | x | x | -y |
| 2 | y | -y | -y | 6 | y | -x | x | 10 | x | -y | x | 14 | x | -x | y |
| 3 | -y | y | -y | 7 | -y | x | x | 11 | -x | y | x | 15 | -x | x | y |
| 4 | -y | -y | y | 8 | -y | -x | -x | 12 | -x | -y | -x | 16 | -x | -x | -y |

FIGURE CAPTIONS

Figure 1. (a) Eigenstates of a strongly coupled two-spin system, (b) qubit labeling, (c) trisodiumcitrate yielding a strongly coupled two-spin system, and (d) the equilibrium 500MHz 1H spectrum of (c).

Figure 2. (a) Equilibrium spectrum of trisodiumcitrate, and spectra corresponding to various pseudopure states (b) $`|00`$, (c) $`|01`$, (d) $`|10`$ and (e) $`|11`$. Numbers above the enrgy levels indicate populations and the binary numbers below the levels indicate the labels. Transitions are also indentified as 1, 2 , 3 and 4 in (a). The pulse sequences applied to prepare each pseudopure state is explained in the text. Transition selective pulses used were of length 100 ms and the gradient pulse was of length 1 ms and strength 10 G/cm. Each spectrum was obtained by a non-selective high power pulse of duration 1 $`\mu `$s corresponding to a flip-angle of 10.

Figure 3. Implementation of Deutsch-Jozsa algorithm. (a) Quantum circuit of and (b) experimental scheme for the implementation of DJ algorithm. (c) and (d) are the experimental spectra corresponding to the two constant functions of $`U_1`$ and $`U_2`$ respectively, and (e) and (f) corresponding to the two balanced functions of $`U_3`$ and $`U_4`$ respectively. The expected spectrum for all the four functions are given on the right hand side.

Figure 4. Creation and tomography of $`(|00+|11)/\sqrt{2}`$ EPR state. Spectra in (a-e) are experimental and in (f-g) are simulated corresponding to various steps of creation and tomography. (a,f) The equilibrium spectra, (b,g) spectra after creation EPR state (no single quantum signal observed); (c,h) the spectra of diagonal part measured by the pulse sequence $`(EPR)G_z10_x^{}`$; (d,i) spectra obtained by the sequence $`(EPR)(\pi /4)_x10_x^{}`$, (e,j) spectra obtained by $`(EPR)(\pi /4)_y10_x^{}`$. (k) The two dimensional spectrum to measure the off-diagonal elements. This spectrum clearly shows the double quantum coherence present in the EPR state. The axial peaks at zero frequency originate from the longitudinal relaxation of EPR state during $`t_1`$ period which is detected due to the imperfection of the $`90^o`$ r.f. pulse following the $`t_1`$ period. The theoretical (l) and, and experimental (m) density matrices of EPR state. Spectra in (d,e) are used for calculating the scaling between diagonal and off-diagonal measurements. While plotting, the spectra shown in (d,e,i,j) are scaled up by a factor of 4. Pseudopure state and EPR state are created by using transition selective pulses of length 100 ms. An eight step cycle (shown in Table 2) was employed to minimize the errors.

Figure 5. Pulse sequence for creation and tomography of EPR state. Numbers inside the parenthesis indicate transition numbers as shown in Figure 1(d). $`𝖴_{\mathrm{𝖤𝖯𝖱}}`$ is applied on transitions \[(2),(3)\] or \[(4),(1)\] as described in the expression 13 and Table 2. $`G_1`$, $`G_2`$ and $`G_3`$ are field gradient pulses of different strengths along $`\widehat{z}`$-direction.

Figure 6. (a) Organometallic compound (I) in which the two Phosphorus (31P) nuclei constitute a two spin system. (b) energy level diagram of the two spin system and (c) the equilibrium phosphorus spectrum recorded at 202 MHz in a magnetic field of 11.7 Tesla.

Figure 7. Implementation of 24 one-to-one logic gates. Starting from equilibrium all the gates were implemented using sequences of transition selective pulses and non-selective pulses. The unitary transforms and pulse sequences for implementation of these gates are given in reference . Gaussian shaped pulses of 100ms duration were used as selective pulses. The r.f. power has been calibrated for given angle of flip for the two inner versus the two outer transitions. A sine-bell shaped gradient was applied after implementation of each selective pulse, to kill any coherences created due to imperfection of pulses. The final populations were mapped by a small angle $`(10^o)`$ non-selective pulse.

Figure 8. Equilibrium proton spectrum of 3-bromo-1,2-dichlorobenzene oriented in ZLI-1132 at 500 MHz. The transitions are labeled from left to right. The ninth transition marked * did not show connectivity to other transitions (Figure 9), and belongs to the lone transition between 011 and 100 (markedby dashed line in Figure 10).

Figure 9. Z-COSY spectrum of oriented 3-bromo-1,2-dichlorobenzene. The equilibrium spectrum and the cross-sections of the Z-COSY spectrum are shown on the right-hand side.

Figure 10. Energy level diagram of oriented 3-bromo-1,2-dichlorobenzene constructed using the Z-COSY spectrum shown in Figure 9. The transitions are labeled as in Figure 8. Only nine transitions are assigned. The remaining transitions are having very low intensity.

Figure 11. Preparation of pseudopure states on the three spin strongly coupled system of Figure 8. Energy levels, transitions and representative deviation populations (numbers inside the circles) are shown on the left hand side and the corresponding spectra are shown on the right hand side. (a) Equilibrium deviation populations and the corresponding spectrum, (b) deviation populations and spectrum obtained after inverting the transition 6, and (c) the deviation populations and the spectrum obtained by subtracting (b) from (a). The deviation populations and the spectrum in (c) correspond to the pair of pseudopure states: $`|000000||001001|`$. (d) Population distribution and spectrum corresponding to the state $`|\mathrm{𝖦𝖧𝖹}\mathrm{𝖦𝖧𝖹}||001001|`$. All spectra were recorded using a final small angle $`(10^o)`$ detection pulse to maintain linear response such that the intensities are proportional to the population differences of the two involved levels only.

Figure 12. (a) Pulse sequence for creation and tomography of $`|\mathrm{𝖦𝖧𝖹}\mathrm{𝖦𝖧𝖹}||001001|`$ state. Numbers inside the parenthesis indicate transition numbers as shown in Figure 8. $`G_1`$ and $`G_2`$ are field gradient pulses of different strengths along $`\widehat{z}`$-direction. (b) The two-dimensional spectrum obtained by using the pulse sequence (a). Pure triple quantum coherence at $`\omega _1+\omega _4+\omega _8`$ (where, $`\omega _k`$ is the frequency of the transition $`k`$) confirms the creation of GHZ state.

Figure 13. The result of DJ algorithm on 3-bromo-1,2-dichlorobenzene desolved in ZLI-1132 for various functions $`f_1f_8`$. Only the expansions of the transitions of the input qubits ($`I_1`$ and $`I_2`$) are shown. Expected patterns obtained by GAMMA simulation are also shown against each spectra. Transitions 3,4,9(\*) and 6 are used as the four work qubit transitions. Interchange of labels 011$``$101 allows us to identify transitions 4 and 9 as transitions belonging to the 3rd qubit. This does not affect other operations and the four 3rd qubit transitions namely 3,4,9 and 6 remain unconnected. However transition 1 now belongs to 1st qubit (011$``$111) along with 2 (010$``$110) and transition 7 to 2nd qubit (001$``$011) along with 8 (000$``$010). All the experiments were carried out on a Bruker DRX-500 spectrometer at 300K. The transition selective pulses were 1.5,7.4,20 and 1.5 ms long respectively for transitions 3,4,9 and 6. The pulse power was then adjusted to make the flip angle of each pulse as $`\pi `$. A phase cycle of $`(x,x)`$ was used to minimize the error of the $`\pi `$-pulses during computation. The extra peaks in $`f_2`$ (shown by “$``$” marks) in the experimental spectra were originated due to undesired coherence transfer during computation. All the experiments were done using 2048 $`t_2`$ and 128 $`t_1`$ data points. All plots are shown in magnitude mode. The resonance frequencies of various transitions (1,2,7 and 8) in $`\omega _2`$ domain are schematically identified in the bottom line of the Figure. The $`\pi `$ pulses applied to various work qubit transitions are indicated for each f, with the transitions identified in $`f_2`$. The same order follows for other f’s. For example, $`f_2=(\pi ,\pi ,\pi ,\pi )`$ means $`\pi `$ pulses are applied to all the transitions of work qubit and $`f_5=(\pi ,0,\pi ,0)`$ means $`\pi `$ pulses are applied to transitions 3 and 9 and no pulses to transitions 4 and 6.

Figure 14. One dimensional 500 MHz proton spectrum of 2-chloroiodobenzene oriented in liquid crystal ZLI-1132, at 300 K forming a 4-qubit system. The transitions are labeled according to descending order of their intensities.

Figure 15. Z-COSY spectrum of the 4-spin strongly coupled system shown in Figure 13. The spectrum consists of more than 2000 desired peaks.

Figure 16. (a) Labeling scheme for the states of the 4-qubit system of Figure 13. (b) Equilibrium spectrum obtained using a small angle (10o) pulse \[the spectra of Fig. 13 was obtained using a 90o detection pulse\]. (c) Spectrum corresponding to C3-NOT gate obtained by selective inversion of transition number 4 ($`|1110|1111`$). (d) Spectrum corresponding to the pair of pseudopure states $`|11111111||11101110|`$ obtained by subtracting (c) from (b), named POPS(4). (e) Spectrum corresponding to the pair of pseudopure states $`|11101110||10101010|`$ obtained by inverting the transition 1 and subtracting the obtained spectrum from the equilibrium spectrum (b), named POPS(1). (f) Spectrum corresponding the pair of pseudopure states $`|11011101||10101010|`$ obtained by applying C2-SWAP gate on (e). The pulse sequence for C2-SWAP gate is given in the expression 48. (g) Spectrum corresponding the pair of pseudopure states $`|11011101||10101010|`$ obtained by inverting the transition 15 and subtracting the spectrum for the equilibrium spectrum (b), named POPS(15). Spectra (f) and (g) match fairly well, indicating good implementation of the C2-SWAP. All spectra were recorded using a final small angle $`(10^o)`$ detection pulse to maintain linear response such that the intensities are proportional to the population differences of the two involved levels only.

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