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# Electronic structure of the quasi-one-dimensional organic conductor TTF-TCNQ

## I Introduction

The electronic structure of one-dimensional (1D) conductors provides a valuable testing ground for the study of the quantum-mechanical many-body problem. On the theoretical side there exist various models for 1D interacting electron systems, which predict highly unusual low-energy excitations due to dynamical decoupling of charge and spin degrees of freedom. As a consequence, the low-energy paradigmatic Fermi liquid picture fails for 1D metals and a new generic many-body quantum state emerges which is commonly referred to as Tomonaga-Luttinger liquid (TLL).Voit95  Experimentally, quasi-1D metals are indeed found to display marked deviations from conventional metallic behavior, such as the absence of Fermi-Dirac edges in the single-particle excitation spectra probed by angle-resolved photoelectron spectroscopy (ARPES). Grioni00 ; Gweon01  However, an unambiguous spectroscopic identification of spin-charge separation and the existence of low-energy TLL behavior in 1D metals is still lacking so far. Additional interest in 1D electron systems arises from the suggestion that their physics may also be relevant to the electronic structure of the cuprate-based high-temperature superconductors,Orgad01  related to the recent discovery of charge ordering in these materials into narrow metallic 1D stripes separated by insulating regions.Tranquada95 ; Tranquada98  Against this background the search for positive spectroscopic signatures of unusual electronic correlation effects in 1D metals remains to be of topical importance.

In the search for promising realizations of a prototypical (quasi-)1D conductor the organic charge transfer salts appear as interesting candidates. Due to the formation of linear molecule stacks in the crystal structure and an electronic charge transfer from cationic to anionic complexes they display strongly anisotropic metallic conductivities.Jerome82 ; Kagoshima88  Photoemission experiments on such materials often find unusual spectral behavior like the absence of a metallic Fermi edge. Grioni00  However, the lack of information on surface quality, especially with regard to the rapid photon-induced decomposition of organic compounds in the vacuum ultraviolet,Sing03  casts serious doubts to what extent these observations reflect intrinsic electronic properties or rather a strongly disturbed surface. This is further corroborated by the failure of ARPES to detect spectral energy-vs.-momentum dispersions in most charge transfer salts.Claessen02b ; Soederholm97 ; Zwick97  A notable exception is TTF-TCNQ (tetrathiafulvalene-tetracyanoquinodimethane), being the first (and so far only) organic conductor for which dispersing 1D bands have been observed by ARPES. Zwick98 ; Sing01  This indicates a well-ordered periodic surface structure and thus lends much enhanced significance to the observation of a deep pseudogap around the Fermi energy, which even increases up to room temperature. This spectral behavior has recently been interpreted as possible indication of a highly unusual normal state in this 1D conductor.Zwick98 ; Claessen02a

In this paper we present a comprehensive experimental and theoretical study of the electronic structure of TTF-TCNQ, elaborating on our earlier ARPES results published in Ref.Claessen02a, . The comparison between experiment and band theory reveals significant discrepancies, concerning both the width of the conduction bands as well as their qualitative dispersion. While the band width renormalization can be attributed to a molecular surface relaxation, the remaining discrepancies indicate a failure of the bare band picture. Rather, we are able to demonstrate that the TCNQ-derived part of the ARPES finite-energy dispersions can be consistently mapped onto the electron removal spectrum of the 1D Hubbard model at finite doping.Carmelo03a ; Carmelo03b  The importance of electronic correlations is further corroborated by a peculiar temperature dependence of the photoemission spectra. Based on these findings the spectral behavior of TTF-TCNQ is interpreted as spectroscopic evidence for spin-charge separation on an energy scale as large as the conduction band width.

## II Properties of TTF-TCNQ

The monoclinic crystal structure of TTF-TCNQ is shown in Fig. 1. The lattice parameters at room temperature are $`a=12.298`$ Å, $`b=3.819`$ Å, and $`c=18.468`$ Å, the monoclinic angle is $`\beta =104.46^{}`$. Kistenmacher74  The important structural features are parallel linear stacks of planar TTF and TCNQ molecules, respectively, oriented along the crystallographic b direction. The $`\pi `$-type molecular orbitals, extending over the entire size of each molecule, overlap with those of the neighboring molecules stacked above and below. Maximum covalent bonding is achieved by tilting the molecular planes slightly about the a-axis, by $`\vartheta _F=24.5^{}`$ and $`\vartheta _Q=34.0^{}`$ for the TTF and TCNQ stacks, respectively (cf. Fig. 1). Kagoshima88 ; Kistenmacher74  The sign of the tilt angle alternates between neighboring stacks, leading to the herringbone structure of Fig. 1.

As covalent bonding occurs only along the stack direction, the corresponding electronic TTF and TCNQ bands are expected to be strongly anisotropic. Charge transfer of $`0.59`$ electrons per molecule from TTF to TCNQ drives both types of chains metallic. Kagoshima88 ; Pouget76  The conductivity along b is two to three orders of magnitude larger than perpendicular to it, making TTF-TCNQ a truly quasi-1D metal. Below $`T_P=54`$ K a charge density wave (CDW) develops along the b-direction, with wave-vector Q$`{}_{CDW}{}^{}=0.295`$ b* ($`=0.485`$ Å-1). The occurence of the CDW is accompanied by a metal-insulator transition. From the activated behavior of the conductivity a Peierls gap of $`40`$ meV has been inferred. Kagoshima88  Within mean-field weak coupling theory this translates into a transition temperature of $`T_{MF}125`$ K. Due to the dominant effect of fluctuations in 1D systems the actual Peierls transition is suppressed to about half of this value. An additional transverse ordering transition occurs at 38 K. Kagoshima88  The observation of diffuse x-ray scattering at $`Q=4k_F`$ up to 220 K indicates the importance of electronic correlations.Pouget76

## III Band structure calculation

The theoretical band structure was studied within the standard density functional theory (DFT) approach using the generalized gradient approximation (GGA).perdew96  We used the self-consistent full-potential linearized augmented plane wave (LAPW) method as implemented in the WIEN97 code. blaha97  A basis set of about 12500 LAPWs and additional ”local orbitals” for the 2s (3s) states of C and N (S) were employed. This corresponds to a lower basis set convergence than desirable, but was limited by the available computational resources. Self-consistency was achieved using 18 k-points in the irreducible wedge of the BZ and a temperature broadening scheme with 5 mRy. The results are largely consistent with previous band calculations, Berlinsky74 ; Kasowski92 ; Starikov98  but contain more detailed and reliable information due to the more advanced method. Very good agreement is found with the recent LDA/GGA pseudopotential calculation of Ref.Ishibashi00, . Our calculations have been performed for the experimental room temperature structure.Kistenmacher74  In addition, we also studied the effect of structural distortions as model for a possible surface relaxation (see section VI).

According to the DFT calculation TTF-TCNQ is characterized by strong intramolecular covalent bonding, whereas the interaction between the molecules is predominantly ionic. Thus, the molecular orbitals are strongly localized except along the stacking direction, where small but notable covalent intermolecular bonding occurs. As seen in Fig. 2, this leads to the formation of two sets of quasi-1D conduction band doublets with pronounced dispersion along b\*, i.e. the $`\mathrm{\Gamma }`$Z line of the Brillouin zone (cf. Fig. 1). The first one, just below $`E_F`$ at the $`\mathrm{\Gamma }`$-point and unoccupied at Z, is derived from $`\pi `$-bonded 2p orbitals of mostly C(6) atoms (in the notation of Ref. Kistenmacher74, ) and can thus be attributed to the TCNQ stacks. The 130 meV splitting at $`\mathrm{\Gamma }`$ results from a weak interaction between the two TCNQ stacks in the unit cell. The other conduction band doublet, showing the opposite dispersion and remaining nearly degenerate, is mainly derived from the $`3\mathrm{p}_\pi `$ orbitals of S(1) and S(2) atoms and therefore associated with the TTF stacks. A small hybridization gap opens between the respective upper TCNQ and TTF bands at the Fermi level. The definite assignment of each band to either the TCNQ or the TTF stacks can also be seen in Fig. 3, which for each band state shows the electronic charge localized on the TCNQ and the TTF molecules, respectively.

The metallic nature of the TTF-TCNQ band structure arises from the energetic overlap of the quasi-1D TCNQ and TTF bands and the electronic charge transfer between them. Due to interstack interaction our calculation yields two Fermi vectors, $`k_F=0.27`$ and $`0.33`$ Å-1, slightly larger than expected from the nesting vector $`2k_F=0.485`$ Å-1 derived from the CDW periodicity. The theoretical bandwidths along $`\mathrm{\Gamma }`$Z are 0.7 eV (TCNQ) and 0.65 eV (TTF), in fair agreement with experimental estimates of $``$0.5 eV. Kagoshima88

The conduction band dispersion perpendicular to b* is essentially negligible. Along the $`\mathrm{\Gamma }`$Y line (a\*) it is practically zero. Slight dispersion of the TCNQ-derived band occurs along $`\mathrm{\Gamma }`$B, which results from weak interaction along c between the molecular end groups in neighboring TCNQ stacks. However, the effect is too small to cause a band crossing along $`\mathrm{\Gamma }`$B. The resulting Fermi surface topology is therefore truly 1D.

## IV Angle-resolved photoemission

ARPES measurements have been performed at our home lab, using He I radiation from a discharge lamp and an Omicron EA 125 HR electron energy analyzer, and with synchrotron radiation at BESSY (Berlin) using an Omicron AR 65 spectrometer.Janowitz99  In both cases the energy and angular resolution amounted to 60 meV and $`\pm 1^{}`$, respectively. All data were taken above the Peierls transition at a sample temperature of 60 K. TTF-TCNQ single crystals were grown by diffusion in pure acetonitrile and had typical dimensions of $`2\times 5\times 0.2`$ mm3, with the long axis along b. Their quality was characterized by x-ray diffraction, electron spin resonance, and conductivity measurements. Clean surfaces parallel to the ab-plane were obtained by in situ cleavage of the crystals at a base pressure of $`<10^{10}`$ mbar. The stoichiometry of this surface, which contains both TCNQ and TTF chains, Kistenmacher74  was verified by x-ray photoemission. Sing03  From the observation of momentum-dispersive ARPES structures we conclude on a crystalline long-range order of the surface, which has independently been confirmed by scanning tunneling microscopy (STM).Sleator88 ; Wang03

Great care was taken to avoid photon-induced surface damage by minimizing the exposure to the incident 25 eV radiation. The effect is demonstrated in Fig. 4, which contains spectra taken at the experimental Fermi vector. For a freshly prepared surface, i.e. immediately after cleavage of the crystal, an intense peak is observed close to the Fermi level. After two hours of exposure to vacuum ultraviolet (VUV) radiation its intensity has strongly decreased and its peak position shifted by more than 0.1 eV away from $`E_F`$. However, the original spectrum can be completely recovered by taking data on another previously unexposed sample spot. This demonstrates that the observed surface degradation is not simply due to contamination or decomposition in the vacuum but indeed caused by VUV radiation. Unfiltered higher order light or direct use of higher photon energies ($`{}_{}{}^{}{}_{}{}^{>}`$35 eV) reduces the time scale of the VUV-induced surface damage even down to minutes. Sing03  All data presented in the remainder of this paper were obtained before noticeable surface decomposition occured.

Figure 5 shows energy distribution curves obtained along the $`𝐛^{}`$ axis, i.e. the 1D direction. The spectral features display pronounced dispersion, whereas spectra measured perpendicular to $`𝐛^{}`$ are dispersionless (not shown here, see Refs.Sing03, ; Zwick98, ). Our data are in excellent agreement with those of Zwick et al.Zwick98  but display in parts more spectral detail. For example, in normal emission ($`\theta =0^{}`$) we can clearly distinguish two peaks at 0.19 and 0.54 eV below $`E_F`$, labeled a and b in Fig. 5. In Ref. Zwick98,  peak a appeared only as a shoulder and was not discussed. For off-normal emission peak b splits into two parts. The upper one (retaining the label b) moves upwards in energy and converges with a close to $`\theta =6^{}`$, where both features reach their closest approach to the Fermi level. We identify this position as Fermi vector which yields $`k_F=0.24\pm 0.03`$ Å-1, in good agreement with the value derived from the CDW vector. Note however, that despite the high conductivity no metallic Fermi edge is observed in the $`k_F`$-spectra (see also Fig. 4), as already observed in Ref. Zwick98, . The spectral intensity rather decreases almost linearly down to zero at exactly the Fermi level.

Beyond $`k_F`$ a weak structure c moves back again from the Fermi level and displays a dispersion symmetric about $`\theta =22^{}`$ corresponding to the Z-point of the Brillouin zone. criticalpoints  Returning to the splitting of peak b away from $`\theta =0^{}`$ we note that its lower part (labeled d) disperses downwards in energy and eventually becomes obscured by peak c. For very high emission angles, corresponding to a $`𝐤`$-vector in the next zone, one observes a symmetry-related weak shoulder d.

## V Temperature dependence of the photoemission spectra

Upon cooling through the Peierls temperature the Fermi vector spectrum has been shown to display the expected opening of a CDW gap.Zwick98  However, even more remarkable is the temperature dependence of the $`k_F`$-spectrum above the transition.Zwick98 ; Claessen02a  This is shown in Fig. 6(a) where considerable spectral changes are observed between 60 and 260 K. The interpretation of these changes hinges on a careful intensity normalization of the spectra. This has been achieved by normalizing them on the residual background intensity above the Fermi energy, which is a good measure of the exciting photon flux.footnote\_normalization  Incidentally, this procedure leads to an almost complete alignment of the temperature spectra at high binding energies ($`{}_{}{}^{>}1.3`$ eV). At lower energies the spectral changes from low to high temperatures can then be described as a pronounced intensity loss of the peak near the Fermi level (and its slight shift away from $`E_F`$), while at the same time the intensity increases between -0.4 and -1.3 eV (see difference spectra in Fig. 6(b)). With the described normalization the integrated spectral weight remains however conserved within experimental uncertainty. We also note that these temperature effects are fully reversible.

These observations and, in particular, the conservation of the total intensity suggest that at $`k=k_F`$ spectral weight is transferred from low to high binding energies with increasing temperature. However, based on the temperature dependence of the $`k_F`$-spectrum alone we cannot rule out the possibility that the effect is caused by a redistribution of spectral weight in momentum space rather than in energy, caused, e.g., by phonon-induced disorder which may be large in organic compounds. In order to check this we have determined the $`k`$-integrated density of states (DOS) by summing up ARPES spectra covering the entire 1D Brillouin zone from $`\mathrm{\Gamma }`$ to Z. Fig. 6(c) shows the result for $`T=60`$ and 300 K. A smearing of the spectral weight distribution in momentum space due to thermally excited phonons should have no effect on the $`k`$-integrated energy spectrum, except possibly for the phonon-induced lifetime broadening of the spectral peaks. The latter seems to be the case for the temperature change around $`1.6`$ eV (the corresponding ARPES spectra show that the broadening occurs only near the zone edge, indicating a particularly strong electron-phonon coupling there). At low binding energies we recover the temperature dependence of the $`k_F`$ spectrum (cf. the difference spectra in Fig. 6(b) and 6(d)), which can clearly not be explained by line broadening. We hence conclude that the temperature behavior at the Fermi vector is indeed caused by a spectral weight transfer in energy.

## VI Comparison of photoemission and band theory

The identification of the ARPES dispersions indicated by the thin lines in Fig. 5 is further substantiated by a different representation of the data. Figure 7 shows the negative second energy derivative of the photocurrent $`d^2I/dE^2`$, clipped at zero value, as grayscale plot in the $`(E,k)`$-plane. This enhances the visibility of the spectral structures and visualizes their dispersion in a completely unbiased way. Also shown are the DFT conduction bands. The comparison of experiment and theory reveals qualitative similarities but also significant discrepancies. Starting our discussion with experimental structure c we find its dispersive behavior in agreement with that of the theoretical TTF-derived bands, except that the (occupied) bandwidth exceeds the theoretical one by a factor of $`1.7`$. Similarly, structures a and b can be attributed to the theoretical TCNQ doublet bands if one accounts for largely enhanced (a: $`2.0`$ and b: $`2.4`$) band widths. Finally, we point out that experimental feature d finds no counterpart in the band calculation.

Our experimental conduction band widths are not only at variance with band theory but also clearly exceed the estimates derived from bulk-sensitive measurements. Kagoshima88  As the ARPES probing depth is comparable to the thickness of a single molecular layer ($`c/2=9.23`$ Å, cf. Fig. 8), the observed discrepancies suggest that the electronic structure of the topmost layer(s) differs from that of the volume. One possible origin could be a structural surface relaxation involving the tilt angles of the planar (and relatively rigid) TTF and TCNQ molecules, respectively, relative to the b-axis. We note that these angles correspond to a total energy minimum configuration resulting from a competition between maximum covalent bonding along the stack direction and minimum Coulomb energy in the Madelung potential of the surrounding molecular ions.Phillips73  It seems conceivable that at the surface this balance is offset due the altered Madelung potential, leading to different equilibrium tilt angles of the topmost molecules, as sketched in Fig. 8. If the surface tilt happens to be larger than that in the volume, it will result in a reduced separation between the molecular planes within a given stack. This in turn leads to an increase of the intermolecular hopping integral and hence the bandwidth.

We have tested this idea by performing a band calculation for a hypothetical volume structure with increased tilt angles (approximately doubled relative to their bulk values), which indeed leads to a strongly enhanced band width at least for the TTF-derived bands in good agreement with their ARPES dispersion. However, a realistic calculation of the surface relaxation by total energy optimization for a semi-infinite crystal is currently beyond our technical limits owing to the large size of the TTF-TCNQ unit cell. Unfortunately, a reliable experimental determination of the molecular surface tilt seems also out of reach, as the usual methods for surface structure determination do not work here. Low energy electron diffraction (LEED) of TTF-TCNQ is strongly hampered by electron-induced surface damage even faster than that caused by the VUV photons.Sing03  STM as another important structural surface probe is only capable of determining the surface periodicity Sleator88 ; Wang03  but cannot give any reliable information on molecular off-plane orientation. Therefore, the suggested surface relaxation has to remain a mere speculation at this point. However, whatever its microscopic origin, the observed enhancement of the ARPES bandwidth with respect to the volume is an experimental fact and we thus have to accept it as an established property of the probed surface layer which distinguishes it from the bulk.

We are finally left with feature d, which even under the assumption of a surface band width renormalization cannot be identified with any of the theoretical volume bands. It might appear tempting to attribute it to an intrinsic surface state. However, such an interpretation is in conflict with the observed Fermi vector of the other bands: Since d stays well below the Fermi level and would thus be occupied throughout the entire Brillouin zone (in a one-electron band picture), it should severely affect the delicate charge balance between the TTF and TCNQ bands and shift the surface Fermi vector notably from its bulk value, which is not the case. Another explanation of d as backfolded image of the TTF band induced by long-ranged CDW fluctuations Schaefer01  is ruled out due to the lack of other evidence for backfolding in the data. As we will discuss in the following section, spectral feature d finds a natural explanation as a many-body effect.

## VII Comparison to the 1D Hubbard model

There is substantial experimental evidence that Coulomb interaction plays an essential role in the electronic structure of TTF-TCNQ Jerome82 ; Kagoshima88 ; Torrance77 ; Basista90  and that a purely band theoretical description may be inadequate. On the theoretical side, the dramatic effects of electron-electron interaction on the low-energy properties of 1D metals have been studied in much detail using the Tomonaga-Luttinger (TL) model. Voit95  It is based on a 1D conduction band with infinite linear dispersion and treats interaction by including scattering processes about the Fermi points.Voit95 ; Meden92  The TL model focusses on the low-energy physics and describes in detail the breakdown of the quasiparticle picture for the low-lying excitations and the emergence of TLL behavior resulting from the dynamical decoupling of spin and charge. For example, the TL model predicts a low-energy onset of the single-particle spectrum which is no longer given by a metallic Fermi edge but rather by a power law behavior $`\omega ^\alpha `$, with the exponent $`\alpha `$ determined by the coupling parameters of the model. The low-energy physics of the TL model defines in fact a universality class which includes also more complicated 1D models of interacting electrons.Solyom79 ; Haldane81  However, by its very construction the TL model contains no intrinsic energy scale, and therefore the energy range of its applicability to real 1D metals is principally unknown, making it less useful for the study of finite-energy spectral properties.

As seen in the previous section, the ARPES data of TTF-TCNQ indeed show unusual behavior on an energy scale of the entire band width, not just near the Fermi level. The spectral properties over this much wider energy range have so far only been addressed by the 1D single-band Hubbard model. Compared to band theory it appears as a much better starting point for the description of TTF-TCNQ and other organic charge transfer salts. In fact, various properties of these 1D conductors have already successfully been analysed within a Hubbard model framework, such as the magnetic susceptibility Torrance77 ; Lee77  or the nuclear spin relaxation rate.Jerome82 ; Devreux76  The underlying idea is that the local interaction energy $`U`$ for two electrons residing on the same molecule dominates over long range Coulomb contributions. The delocalization of the charge carriers is described by the hopping integral $`t`$ (the bare bandwidth amounts to $`4t`$ in one dimension). The Hubbard model also defines an intrinsic energy scale for spin excitations, which for large values of $`U/t`$ is given by the exchange constant $`J=\frac{2t^2}{U}\left[n\frac{\mathrm{sin}(2\pi n)}{2\pi }\right]`$, Coll74 ; Klein74  with $`n`$ being the band filling parameter ($`n=0.59`$ for TTF-TCNQ).

At low excitation energies the physics of the 1D Hubbard model with finite doping follows the TLL phenomenology. The $`U/t`$-dependence of the non-classic TLL exponents, which control the asymptotics of the low-energy correlation functions, can be extracted from its Bethe-ansatz solution.Lieb68  However, in contrast to the TL model the Hubbard model also allows the study of finite-energy properties. Recently, an exact analysis on the basis of the Bethe-ansatz has shown Carmelo03a ; Carmelo03b  that all energy eigenstates of the 1D Hubbard model can be described in terms of occupancy configurations of various collective spin-only and charge-only modes, namely spinons (zero-charge spin excitations), holons (spinless charge excitations), and a third type of charged quantum objects. footnote\_terminology  We refer the reader to Refs. Carmelo03a,  and Carmelo03b,  for details. The important point is that this description is valid for all energy scales of the model and follows from the non-perturbative organization of the electronic degrees of freedom.

Here we are interested in the electron removal spectrum of the 1D Hubbard model. Qualitative properties of the spectrum have already been derived from early calculations within the strong coupling limit ($`U/t\mathrm{}`$).Penc96 ; Favand97  More recently, it has become possible to determine the spectral behavior also for intermediate interaction strengths ($`U4t`$), either by numerical methodsSenechal00  or by Bethe-ansatz.Carmelo03a ; Carmelo03b  Here we will restrict ourselves to the energy-vs.-momentum dependence of the spectral features, which can be calculated exactly with the latter method. The calculation of matrix elements between ground and excited states and hence of the spectral weight distribution is more complicated with this method and will be presented elsewhere.Carmelo03c  A schematic picture of the spectral dispersions is given in Fig. 9(a). As the hole generated by the removal of one electron decomposes (or ”fractionalizes”) into decoupled spin and charge excitations, there is a manifold of ways to distribute excitation energy and momentum among these collective modes giving rise to an excitation continuum, indicated by the shaded area in Fig. 9(a).

However, due to the phase space available for electronic hole fractionalization this continuum is not structureless. It is dominated by lines of singularities (solid curves in Fig. 9(a)) which roughly speaking correspond to situations, in which either the charge mode propagates with the entire excitation energy leaving zero energy for the spin channel, or vice versa. We denote these dispersion curves hence as ”charge” and ”spin” branches, respectively. At the Fermi vector both branches are degenerate, but due to their different group velocities they split away from the Fermi level. This low-energy behavior has already been found for the TL model.Voit95  The 1D Hubbard model now allows us to explore also the finite-energy dispersion of these features. The spin branch for example reaches its maximum binding energy for momentum $`k=0`$ at about $`\frac{\pi }{2}J`$, reflecting the dispersion of a bare spinon. The dispersion of the charge part is a little bit complicated. Starting from $`k=k_F`$ it follows a nearly parabolic-like dispersion reaching at $`k=+k_F`$ a maximum binding energy which scales with the hopping integral $`t`$. From there it disperses upwards again under a pronounced loss of spectral weight Penc96 ; Favand97 ; Senechal00  until it eventually crosses the Fermi level at $`+3k_F`$ (for symmetry reasons there is a corresponding charge branch running from $`+k_F`$ to $`3k_F`$). The shape of its dispersion reflects that of a bare holon, with the distance of $`4k_F`$ (rather than $`2k_F`$) between its Fermi level crossing points owing to the fact that the holon is a spinless quantum object. The shift of the symmetry point away from $`k=0`$ to $`\pm k_F`$ can be understood from a detailed microscopic analysis of the electronic hole spectrum.Carmelo03a ; Carmelo03b  The peculiar high-energy behavior of the charge branch was first noted by Penc et al. in the case $`U/t\mathrm{}`$.Penc96

Comparing this picture to the observed experimental dispersions of the TCNQ-related peaks in the ARPES data (cf. Fig. 7) we find remarkable similarities. In fact, it is even possible to obtain a quantitative Hubbard model description of the experimental dispersions. For this purpose we have utilized the Bethe-ansatz method introduced in Ref. Carmelo03c, . Further details about the line shape predicted by the Hubbard model within such a method for the TCNQ dispersions are presented elsewhere.Carmelo03d  The method leads to $`U/t`$ dependent branch lines which are given by the expressions of Ref. Carmelo03a,  \[Eqs. (C15), (C16), (C19), and (C21)\] for the bare holon and spinon dispersions, footnote\_terminology  which in turn reproduce those of the charge and spin branches in the electron removal spectrum. For these calculations the model parameters $`U`$ and $`t`$ were chosen in such a way as to yield optimum agreement with the ARPES dispersions. The comparison of the model calculation to the experimental TCNQ dispersions (from ARPES spectra measured on a finer $`k`$-grid than those presented above) in Fig. 9(b) yields an almost perfect match. This allows us to identify the experimental structures a and b (cf. Fig. 7) as spin branch and the upper part of the charge branch, respectively. footnote\_on\_splitting  Moreover, the as yet unidentified structure d now finds its natural explanation as the high-energy part of the theoretical charge branch, at least for not too large $`k`$-vectors. Experimentally, its reversed dispersion beyond $`k_F`$ and its eventual $`3k_F`$-crossing is not observed, most likely due to the theoretically predicted loss of weight at larger $`k`$ and the overlapping TTF band. The model parameters used to fit the theoretical dispersions to the experimental ones are $`t=0.4`$ eV and $`U=1.96`$ eV, corresponding to a rather moderate coupling strength of $`U/t=4.9`$.

We finally turn to the TTF-related ARPES feature. Concerning its dispersion we observe no extraordinary behavior other than the enhanced bandwidth relative to band theory. Complimentary to the TCNQ band, the TTF-derived conduction band (or rather band doublet) is more than half-filled ($`n=20.59>1`$). For this case the Hubbard model predicts a charge branch line whose dispersion shows some similarities to that of the experimental feature c in Fig. 7. However, there should also be an additional spin branch line for which we observe no clear evidence. It is possible that the model parameters suitable for the TTF band differ from those for the TCNQ band and are such that spin-charge separation is less pronounced. Moreover, x-ray diffraction studies have reported the existence of $`4k_F`$ CDW fluctuations on the TTF chains up to 220 K.Kagoshima88 ; Pouget76  It is not clear how such fluctuations may affect the ARPES spectra; they could for example account for the relatively large line-width of the experimental TTF peak (cf. structure c in Fig. 5), thereby obscuring a possible small spinon-holon splitting. At this point the interpretation of the TTF part of the ARPES data has to remain an open question.

## VIII Discussion

The 1D Hubbard model thus provides a quantitative description of the experimental TCNQ-related dispersions and an explanation for the failure of band theory. In fact, earlier studies of the electronic and magnetic low-energy properties of TTF-TCNQ Jerome82 ; Kagoshima88 ; Torrance77 ; Basista90  have already used this model successfully for the interpretation of their data. They estimated that the local interaction energy $`U`$ and the bandwidth $`4t`$ are comparable and of the order of 1 eV. This is consistent with the parameters of our model fit. Concerning the resulting bandwidth $`4t=1.6`$ eV we observe an approximate doubling with respect to the result of our DFT calculation (0.7 eV), just as in the bare band-theoretical interpretation of the ARPES data. It is again attributed to a possible molecular surface relaxation as already discussed in Section VI. The hopping integral of our Hubbard model fit thus reflects a surface property. In order to compare to $`bulk`$ properties we should rather use the value inferred from the DFT bandwidth, $`t=0.175`$ eV. As the intramolecular Coulomb energy $`U`$ is a local quantity, we do not expect large differences between bulk and surface. With $`U=1.96`$ eV we thus obtain for the coupling strength in the volume a value of $`U/t=11.2`$. From $`U`$ and $`t`$ we can also calculate the magnetic exchange energy $`J`$, which for the volume yields 21 meV (110 meV for the surface). This is in good agreement with experimental estimates of $`J`$ inferred from magnetic susceptibility measurements which range between $`17`$ and $`30`$ meV.Torrance77 ; Klotz88 .

Further evidence for the importance of correlation effects is provided by the unusual temperature dependence of the photoemission spectra. Commonly, temperature effects are caused by electron-phonon interaction with spectral changes occuring on an energy scale $`k_BT`$, due to an altered population of phonons with a comparable energy (at least within harmonic approximation and with linear coupling).Knupfer93  However, for TTF-TCNQ we observe upon warming-up a shift of spectral weight from low to high binding energies by $`1`$ eV, i.e. an energy of the order of the bare bandwidth and hence much larger than the thermal energy scale. This seems to rule out conventional electron-phonon coupling as the origin of the temperature dependence, though we cannot completely exclude the possibility of non-linear coupling effects.Gutfreund80

A much more natural explanation of the observed temperature effects can be inferred from calculations for the quarter-filled 1D $`tJ`$ model in the strong-coupling limit ($`J/t0`$, corresponding to the $`U/t\mathrm{}`$ case of the Hubbard model).Penc97b  Here it was found that, compared to the zero temperature spectrum, considerable spectral weight is redistributed from the ”spin” peak at the Fermi level to the bottom of the ”charge” band at $`2t`$ already at temperatures $`0<k_BT<<t`$, exactly as observed in our data. We are not aware of similar calculations for moderate interaction strengths, but we expect this result to hold qualitatively also for finite $`J/t`$ or $`U/t`$, respectively.

In conclusion, both the dispersive behavior of the TCNQ-derived ARPES structures as well as the temperature dependence of the spectra are found to be well accounted for, in parts even quantitatively, by the finite-energy spectral properties of the 1D Hubbard model. The observed discrepancies to band theory thus appear as a consequence of spin-charge separation, which occurs in that model on all energy scales.Carmelo03a  In this interpretation our ARPES results on TTF-TCNQ represent the first spectroscopic observation of spin-charge separation in a quasi-1D metal on an energy scale of the conduction band width. It is interesting to note that there exists independent experimental support for the occurence of spin-charge decoupling in TTF-TCNQ from the contrasting temperature dependence of conductivity and spin susceptibility. Tomkiewicz77

We close this section with a discussion of the spectral onset near $`E_F`$, for which the 1D Hubbard model predicts a low energy behavior $`|EE_F|^\alpha `$ with the exponent ranging between $`\alpha =0`$ and $`\alpha =1/8`$ for $`U/t0`$ and $`U/t\mathrm{}`$, respectively.Voit95  This is in clear contrast to our experimental observation of an almost linear energy dependence, for which there are various possible explanations. First of all, the physics of the 1D Hubbard model is expected to be applicable only for excitation energies larger than the transverse transfer integrals associated with interchain hopping (the DFT band dispersions of Fig. 2 give an estimate of the relevant energy scale). In addition, long-range interactions beyond a simple Hubbard model (e.g. the effect of nearest neighbor interaction, which may be non-negligible for TTF-TCNQ Hubbard78 ) are capable to increase the onset exponent up to $`\alpha 1`$. Zhuravlev01  Unfortunately, the spectral properties of extended Hubbard models at higher binding energies are not well known. Finally, it has recently been argued that low-energy power law exponents of the order of unity can also be caused by impurities and/or defects on the surface of an organic conductor, which localize the 1D electrons to strands of finite length, leading to the concept of a ”bounded Luttinger liquid”.Voit00

However, it seems likely that the failure of the simple Hubbard model at low energies is not just a purely electronic effect. Rather, one should also expect pronounced contributions by electron-phonon coupling, which after all is strong enough to drive a Peierls transition at low temperatures. On the other hand, a simple interpretation of our linear spectral onset in terms of a Peierls pseudogap due to CDW fluctuations above $`T_P=54`$ K must be ruled out, as the size of the underlying low-temperature Peierls half-gap is only 20 meV,Kagoshima88  much smaller than the energy range of the onset ($`100`$ meV). Furthermore, $`2k_F`$ CDW fluctuations disappear already at 150 K, while $`4k_F`$ fluctuations - though still observable at 300 K - strongly weaken with increasing temperature.Pouget76  In contrast, the ARPES spectral weight near $`E_F`$ is found to become reduced (while still being linearly energy-dependent) from low to high temperatures (cf. Fig. 6). The large energy range of the spectral onset indicates the importance of coupling to other phonons than those involved in the Peierls transition and is consistent with the phonon spectrum of TTF-TCNQ, which indeed reaches up to $`200`$ meV.Eldridge98  Even so, any detailed understanding of the spectral properties of TTF-TCNQ at low energies will require the consideration of electronic correlations and electron-phonon coupling effects on an equal footing, which remains to be a challenge to modern solid state theory. Whatever the details of any such description, our above results indicate that its high-energy physics must be close to that of the 1D Hubbard model.

## IX Conclusion

The electronic structure of TTF-TCNQ above the Peierls transition as probed by ARPES deviates significantly from DFT band calculations. The experimental observation of an approximate doubling of the overall conduction band width relative to band theory is attributed to a structural relaxation of the topmost molecular layers. When accounted for an enhanced electron hopping integral at the surface, the spectra of the TCNQ-derived bands can be brought into consistent and even quantitative agreement with the theoretical finite-energy single-particle spectrum of the 1D Hubbard model. This picture is further supported by a temperature-dependent redistribution of spectral weight over energies much larger than the thermal energy. Within this interpretation our experimental results provide spectroscopic evidence for spin-charge separation on an energy scale of the conduction band width. In contrast, the spectral behavior at low binding energies is found to deviate from that of the simple 1D Hubbard model, possibly due to higher dimensional effects combined with the additional importance of electron-phonon coupling and possibly also long-range electron-electron interaction. TTF-TCNQ thus represents an interesting model system to study electronic correlation effects in a 1D metal.

###### Acknowledgements.

We gratefully acknowledge S. Hao, C. Janowitz and G. Reichardt for technical support at BESSY, and F. Gebhard, E. Jeckelmann, J. M. B. Lopes dos Santos, A. Muramatsu, K. Penc, and J. Voit for stimulating discussions. This work was supported by the DFG (CL 124/3 and SFB 484), the BMBF (Grant 05SB8TSA2), and the FCT (Ph.D. Grant BD/3797/94).


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# 3D weak lensing

## 1 Introduction

As a direct probe of the mass distribution, gravitational lensing is an excellent tool for cosmological parameter estimation, complementing microwave background studies. Many of the cosmological parameters have been determined well from the microwave background, most recently and most accurately by the WMAP satellite (?). There are some parameters which are difficult to constrain from the microwave background alone, the most significant example being the equation of state parameter ($`w=p/\rho c^2`$) of the vacuum energy. An accurate determination of $`w`$ and its time-dependence is a major goal in the post-WMAP era, as it can put constraints on the nature of the vacuum energy. The direct mass dependence also offers advantages over studies of large-scale structure, which have to make assumptions about, or deduce, the relationship between galaxy and mass distributions on large scales (?). One of the most useful manifestations of gravitational lensing by intervening matter is the alignment of nearby images on the sky. Detection of dark matter on large scales through such ‘cosmic shear’ measurements has recently been shown to be feasible, and cosmological constraints from the first detections have now been made (e.g. ???). To date, the cosmic shear analyses have concentrated on using essentially only two-dimensional shear information; in surveys where (photometric) redshifts of the sources are known, they are used to determine the redshift distribution only, and are not used individually. Recently, though, 3D information has begun to be employed, mostly through what I would describe as $`2\frac{1}{2}`$D analysis: the sources are divided into slices at different distances, based on their photometric redshifts, and a 2D analysis is done on each slice. This can be valuable in detecting the presence of clusters of galaxies (???). At a statistical level, ? has shown that there is some extra information on cosmological parameters which can be gained by dividing the sample this way. The extra information depends on the parameter under consideration: for the amplitude of the matter power spectrum, there are significant gains when the source population is split into two, but little is gained by further, fine subdivisions. For $`w`$, the gains are much larger, as the constraints from 2D lensing are weak. Finally, ? has shown how the lensing equations can be inverted to deduce the gravitational potential directly, and this offers exciting possibilities of reconstruction of the 3D mass density field from shear and convergence data (?). ? have shown how this inversion can be done by matrix methods for discrete shear data in cells.

The purpose of this paper is to demonstrate how the full 3D information about the shear can be used. In particular, I investigate how source photometric redshift information can be used in a statistical analysis to determine the mass power spectrum and the equation of state of the vacuum energy. In particular, we are interested in how much extra information on cosmological parameters can be gleaned from a 3D shear map, to see whether the reduction in statistical errors justifies the extra observing time required to obtain photometric redshifts for the sources.

Reducing statistical errors is, of course, not the only reason for wishing to have photometric redshifts; weak shear studies are beset by a number of systematic errors, and these may eventually dominate the error budget as surveys improve in scope and quality. The most obvious of these is the redshift distribution of the sources - ignorance of the precise distribution is already a source of significant error in current surveys (see e.g. ?). At a different level, the analysis of cosmic shear usually makes the assumption that the source galaxy ellipticities are uncorrelated, and this may not be true in detail, due to tidal effects during the galaxy formation process (??????). The level of this effect is not well known, but it is thought to be large enough to be an important source of systematic error in low-redshift lensing surveys (??). By its nature, tidal effects are important for galaxies which are close together in three dimensions, so photometric redshifts can be used to remove or downweight nearby galaxy pairs in shear correlation estimates, for example ?, ?. These studies show that the systematic effects of intrinsic alignments can be essentially completely removed, at the expense of an increase in shot noise. Other physical effects which could affect weak lensing studies can also be removed this way, for example the effects of source clustering if one uses number counts as a measure of magnification (?). Furthermore, with many (typically 5) images of galaxies available from a photometric redshift lensing survey, there is scope for better shape measurement, independent lensing studies and so on.

We see that there is a powerful case for obtaining photometric redshifts for lensing surveys on the basis of removing systematic errors. Having obtained distance information for the sources, it seems sensible to use it in the statistical analysis, as it must reduce the error bars on the parameters which one wants to estimate. In this paper, I propose a method, based on spherical Bessel functions and spin-spherical harmonics, for analysing such surveys.

I find that the 3D information can reduce the error on the amplitude of the matter power spectrum by a factor $`2`$, which broadly speaking compensates for the extra time taken to obtain photometric redshifts. The error on the vacuum equation of state is encouraging: with 3D information $`w`$ could be determined to an accuracy of $`<1\%`$. These results assume that other cosmological parameters are known accurately, most plausibly from microwave background studies.

The paper is arranged as follows. Section 2 describes the method, section 3 discusses the expected errors, section 4 performs a signal-to-noise analysis of the modes, which turns out to be very informative, and section 5 presents the conclusions.

## 2 Method

### 2.1 Spherical coordinates and spherical Bessel functions

Spherical coordinates are natural for the description of fields on the full sky, but there are reasons for using them even if the sky coverage is relatively small. The survey specification is normally a combination of sky coverage (specified in terms of angular coordinates $`\theta ,\phi `$), and depth (related to $`r`$). In addition, photometric errors introduce errors in $`r`$, and the lensing potential is related to the Newtonian potential by a radial integral. Having said this, the spherical harmonic expansion becomes cumbersome at high $`\mathrm{}`$, and at some point a Fourier description on the flat sky becomes an attractive approximation to make. We choose to expand radially in spherical Bessel functions, as these (when combined with spherical harmonics) are eigenfunctions of the Laplace operator, which leads to a very simple relationship between the coefficients of the gravitational potential and those of the overdensity field, since these are related by Poisson’s equation.

### 2.2 Transformation of scalar and shear fields

The spherical harmonic transform of a scalar field $`f(𝐫)`$ is defined by

$$f_\mathrm{}m(k)\sqrt{\frac{2}{\pi }}d^3𝐫f(𝐫)j_{\mathrm{}}(kr)Y_{\mathrm{}}^m(\mathrm{\Omega })$$
(1)
where $`j_{\mathrm{}}(z)`$ is a spherical Bessel function, $`Y`$ a spherical harmonic, $`k`$ is a wavenumber, $`\mathrm{}`$ is a positive integer and $`m=\mathrm{},\mathrm{}\mathrm{}`$. The shear field, comprising $`\gamma _1`$ and $`\gamma _2`$, can be written as components of a tensor, and expanded in terms of tensor spherical harmonics, as in ?, or spin-spherical harmonics $`{}_{s}{}^{}Y_{\mathrm{}}^{m}`$ as in ?. We will use the latter notation, generalised to 3D:

$`\gamma _1(𝐫)\pm i\gamma _2(𝐫)`$ $`=`$ $`\sqrt{{\displaystyle \frac{2}{\pi }}}{\displaystyle \underset{\mathrm{}m}{}}{\displaystyle \frac{1}{2}}\sqrt{{\displaystyle \frac{(\mathrm{}+2)!}{(\mathrm{}2)!}}}`$
$`{\displaystyle 𝑑kk^2\gamma _\mathrm{}m(k)_{\pm 2}Y_{\mathrm{}}^m(\widehat{𝐧})j_{\mathrm{}}(kr)}.`$
In principle the coefficients $`\gamma _\mathrm{}m(k)`$ could depend on whether the $`+`$ or $``$ sign is taken, but they are the same, and are related to the transform of the lensing potential $`\varphi (𝐫)`$ by

$$\gamma _\mathrm{}m(k)=\frac{1}{2}\sqrt{\frac{(\mathrm{}+2)!}{(\mathrm{}2)!}}\varphi _\mathrm{}m(k)$$
(3)
(?). The lensing potential is related to the gravitational potential $`\mathrm{\Phi }(𝐫)`$ by a radial integral (e.g. ?)

$$\varphi (𝐫)=\frac{2}{c^2}_0^r𝑑r^{}\left[\frac{f_K(r)f_K(r^{})}{f_K(r)f_K(r^{})}\right]\mathrm{\Phi }(𝐫^{}).$$
(4)
$`f_K(r)d\psi `$ is the dimensionless transverse comoving separation for points separated by an angle $`d\psi `$. The Robertson-Walker metric may be written $`ds^2=c^2dt^2R^2(t)\left[dr^2+f_K^2(r)d\psi ^2\right]`$, and $`f_K(r)`$ takes the values $`\mathrm{sin}r,r,\mathrm{sinh}r`$ for curvature values $`k=1,0,1`$.

$`\mathrm{\Phi }(𝐫)`$ is related to the overdensity field $`\delta (𝐫)\delta \rho (𝐫)/\overline{\rho }`$ by Poisson’s equation

$$^2\mathrm{\Phi }=\frac{3\mathrm{\Omega }_mH_0^2}{2a(t)}\delta ,$$
(5)
where $`\mathrm{\Omega }_m`$ is the matter density parameter, $`H_0`$ is the Hubble constant and $`a(t)=1/(1+z)`$ is the scale factor. $`\delta `$ itself is not a homogeneous field, because it evolves with time, and hence with distance from the observer through the light travel time. In the linear regime, we can describe the growth by a universal growth rate $`g(t)`$ (see, for example ? for quintessence models), so that $`\delta =\delta ^0g(t)`$, where $`\delta ^0(𝐫)`$ is the overdensity field, extrapolated using linear theory to the present day, and which is homogeneous. Thus $`\mathrm{\Phi }(𝐫)=\mathrm{\Phi }^0g(r)/a(r)`$. Note that for an Einstein-de Sitter universe, $`g(r)/a(r)=1`$, and that for the ‘concordance’ model of matter and vacuum density parameters $`\mathrm{\Omega }_m=0.3`$, $`\mathrm{\Omega }_v=0.7`$, $`g(r)/a(r)`$ declines from 1.28 at high redshift to unity today.

The transform of the lensing potential is therefore related to that of the present-day potential field by

$$\varphi _\mathrm{}m(k)=\frac{1}{c^2}_0^{\mathrm{}}𝑑k^{}k^2\eta _{\mathrm{}}(k,k^{})\mathrm{\Phi }_\mathrm{}m^0(k^{})$$
(6)
where

$`\eta _{\mathrm{}}(k,k^{})`$ $``$ $`{\displaystyle \frac{4}{\pi }}{\displaystyle _0^{\mathrm{}}}𝑑rf_K(r)j_{\mathrm{}}(kr)`$ (7)
$`{\displaystyle _0^r}𝑑r^{}j_{\mathrm{}}(k^{}r^{})\left[{\displaystyle \frac{f_K(r)f_K(r^{})}{f_K(r^{})}}\right]{\displaystyle \frac{g(r^{})}{a(r^{})}}.`$
These equations allow us to relate the coefficients of the shear field, $`\gamma _\mathrm{}m(k)`$ to the underlying linear, present-day overdensity field, $`\delta _\mathrm{}m(k)`$, since Poisson’s equation implies

$$\mathrm{\Phi }_\mathrm{}m^0(k)=\frac{3\mathrm{\Omega }_mH_0^2}{2k^2}\delta _\mathrm{}m^0(k).$$
(8)
### 2.3 Discrete estimator

The data which we have to hand are estimates of the shear field at 3D positions in space, so it makes some sense to transform the data directly. The radial coordinate is generally not known accurately, but is typically given by a photometric redshift which has an error which may be $`\sigma _z0.020.1`$ or more. We denote this radial coordinate by $`s`$, and the true coordinate by $`r`$. They are related by a conditional probability, which we will take to be a gaussian

$$p(s|r)ds=\frac{1}{\sqrt{2\pi }\sigma _z}\mathrm{exp}\left[\frac{(z_sz_r)^2}{2\sigma _z^2}\right]dz_s$$
(9)
where $`z_{r,s}`$ are the redshifts associated with distance coordinates $`r`$ and $`s`$. Note that $`\sigma _z`$ can vary with $`z`$.

The estimate of the shear is obtained from the complex ellipticity (?)

$$e=e^s+2\gamma $$
(10)
where $`e^s`$ is the intrinsic source ellipticity, whose mean is assumed to be zero, so $`\widehat{\gamma }=e/2`$ is an unbiased, albeit noisy, estimate of the shear field. The shear estimates have covariance properties

$$\widehat{\gamma }_a\widehat{\gamma }_b^{}=\gamma _a\gamma _b^{}+\frac{1}{4}e_a^se_b^s$$
(11)
for galaxies $`a`$ and $`b`$. We denote the variance of $`e`$ by $`\sigma _e^2`$, typically $`<0.1`$ (?). The second term isnon-zero if galaxies are intrinsically aligned (see e.g. ?). I ignore this term, as with photometric information, its effect can be removed by modifying the analysis to remove close pairs in three dimensions (??). Thus we have noisy estimates $`\widehat{\gamma }`$ of the shear field at imprecise positions with distances $`s`$ given by photometric redshifts.

An obvious set of quantities to use for a harmonic description of the data is simply to do a discrete transform of the measurements which are to hand. We consider the following quantities:

$${}_{\pm }{}^{}\widehat{g}_{\mathrm{}m}^{}(k)\sqrt{\frac{2}{\pi }}\underset{\mathrm{galaxies}\mathrm{g}}{}\left(\widehat{\gamma }_{1g}\pm i\widehat{\gamma }_{2g}\right)j_{\mathrm{}}(ks_g)_{\pm 2}Y_{\mathrm{}}^m(\widehat{𝐧}_g).$$
(12)
$`{}_{\pm }{}^{}\widehat{g}_{\mathrm{}m}^{}(k)`$ are estimates of the quantities

$${}_{\pm }{}^{}g_{\mathrm{}m}^{}(k)=\sqrt{\frac{2}{\pi }}d^3𝐬n(𝐬)\gamma _\pm (𝐫)j_{\mathrm{}}(ks)_{\pm 2}Y_{\mathrm{}}^m(\widehat{𝐧}),$$
(13)
where $`n(𝐫)`$ is the number density, and $`\gamma _\pm \gamma _1\pm i\gamma _2`$. It is straightforward to include a non-uniform weighting of the galaxies if desired. This may improve the errors on parameter estimation, but is not explored in this paper.

Note that in this equation the shear field is evaluated at the true position $`𝐫`$, whereas the estimate (12) involves the distance $`s`$ estimated from the photometric redshift. These are related by the conditional probability $`p(s|r)`$, leading to an average value of the expansion coefficients

$`{}_{\pm }{}^{}\overline{g}_{\mathrm{}m}^{}(k)`$ $`=`$ $`\sqrt{{\displaystyle \frac{2}{\pi }}}{\displaystyle d^3𝐬𝑑rp(s|r)}`$ (14)
$`n(𝐬)\gamma _\pm (𝐫)j_{\mathrm{}}(ks)_{\pm 2}Y_{\mathrm{}}^m(\widehat{𝐧}).`$
With the photometric redshift smoothing, $`n(𝐬)`$ is heavily smoothed, so we can approximate it by the smoothed number density at $`𝐫`$, $`n_s(𝐫)`$. For deep surveys, the angular clustering is small, so we can ignore clustering, and approximate this by the average number density, which normally separates into a radial part and an angular selection:

$$n_s(𝐫)=\overline{n}(r)M(\widehat{𝐧})$$
(15)
Normally $`M=0`$ (unobserved sky) or $`M=1`$ (in survey), although more complicated forms are possible, if some parts of the survey are partially sampled.

If we denote the spin-spherical harmonic transform of $`n_s(𝐫)\gamma _\pm (𝐫)`$ by $`{}_{\pm }{}^{}h_{\mathrm{}m}^{}(k)`$, i.e.

$$n_s(𝐫)\gamma _\pm (𝐫)=\sqrt{\frac{2}{\pi }}\underset{\mathrm{}m}{}𝑑kk_\pm ^2h_\mathrm{}m(k)j_{\mathrm{}}(kr)_{\pm 2}Y_{\mathrm{}}^m(\widehat{𝐧})$$
(16)
we find that (14) may be written

$`{}_{\pm }{}^{}\overline{g}_{\mathrm{}m}^{}(k)`$ $`=`$ $`{\displaystyle \frac{2}{\pi }}{\displaystyle 𝑑sf_K^2(s)𝑑\widehat{𝐧}𝑑rp(s|r)}`$ (17)
$`{\displaystyle \underset{\mathrm{}^{}m^{}}{}}{\displaystyle 𝑑k^{}k_\pm ^2h_\mathrm{}^{}m^{}(k)j_{\mathrm{}}^{}(k^{}r)j_{\mathrm{}}(ks)}`$
$`{}_{\pm 2}{}^{}Y_{\mathrm{}^{}}^{m^{}}(\widehat{𝐧})_{\pm 2}Y_{\mathrm{}}^m(\widehat{𝐧})M^2(\widehat{𝐧}).`$
It is convenient to define angular mixing matrices by

$${}_{\pm }{}^{}W_{\mathrm{}\mathrm{}^{}}^{mm^{}}𝑑\widehat{𝐧}_{\pm 2}Y_{\mathrm{}^{}}^m^{}(\widehat{𝐧})_{\pm 2}Y_{\mathrm{}}^m(\widehat{𝐧})M^2(\widehat{𝐧}).$$
(18)
For all-sky coverage,$`{}_{\pm }{}^{}W_{\mathrm{}\mathrm{}^{}}^{mm^{}}=\delta _{\mathrm{}\mathrm{}^{}}^K\delta _{mm^{}}^K`$, where $`\delta ^K`$ is the Kronecker delta symbol. Using $`W`$, we can simplify (17) to

$${}_{\pm }{}^{}\overline{g}_{\mathrm{}m}^{}(k)=\underset{\mathrm{}^{}m^{}}{}𝑑k^{}k_\pm ^2W_{\mathrm{}\mathrm{}^{}}^{mm^{}}Z_{\mathrm{}\mathrm{}^{}}(k,k^{})_\pm h_\mathrm{}^{}m^{}(k^{})$$
(19)
where

$$Z_{\mathrm{}\mathrm{}^{}}(k,k^{})\frac{2}{\pi }𝑑sf_K^2(s)𝑑rp(s|r)j_{\mathrm{}^{}}(k^{}r)j_{\mathrm{}}(ks).$$
(20)
$`{}_{\pm }{}^{}h_{\mathrm{}m}^{}(k)`$ may be calculated by direct substitution of the expansion of $`\gamma _\pm `$, yielding

$${}_{\pm }{}^{}h_{\mathrm{}m}^{}(k)=𝑑k^{}k^2M_{\mathrm{}\mathrm{}}(k,k^{})_\pm \gamma _\mathrm{}m(k^{})$$
(21)
where

$$M_{\mathrm{}\mathrm{}^{}}(k,k^{})\frac{2}{\pi }𝑑rf_K^2(r)j_{\mathrm{}^{}}(k^{}r)j_{\mathrm{}}(kr)\overline{n}(r).$$
(22)
(This equation is more general than necessary at this stage, with two indices $`\mathrm{}`$ and $`\mathrm{}^{}`$, but $`M_{\mathrm{}\mathrm{}^{}}`$ will appear in its general form in the shot noise below). It is convenient to define a continuous form of the Einstein summation convention indicating integration over wavenumber:

$$A(k,k^{})B(k^{},k^{\prime \prime })𝑑k^{}k^2A(k,k^{})B(k^{},k^{\prime \prime }).$$
(23)
With this notation, we can write the shear expansion coefficients in terms of the present-day, linear density field coefficients as follows (from (18), (20), (7), (8) and (6)):

$`{}_{\pm }{}^{}\overline{g}_{\mathrm{}m}^{}(k)`$ $`=`$ $`A{\displaystyle \underset{\mathrm{}^{}m^{}}{}}\sqrt{{\displaystyle \frac{(\mathrm{}^{}+2)!}{(\mathrm{}^{}2)!}}}_\pm W_{\mathrm{}\mathrm{}^{}}^{mm^{}}Z_{\mathrm{}\mathrm{}^{}}(k,k^{})`$ (24)
$`M_{\mathrm{}\mathrm{}}(k^{},\stackrel{~}{k}){\displaystyle \frac{\eta _{\mathrm{}^{}}(\stackrel{~}{k},\stackrel{~}{k}^{})}{\stackrel{~}{k}^2}}\delta _\mathrm{}^{}m^{}^0(\stackrel{~}{k}^{})`$
where $`A3\mathrm{\Omega }_mH_0^2/(4c^2)`$. Note that the sums over $`\mathrm{}^{}`$ and $`m^{}`$ are made explicitly.

For all-sky surveys, the average values of $`{}_{\pm }{}^{}g_{\mathrm{}m}^{}(k)`$ are zero; information about cosmological parameters comes from their variance (or, more precisely, their covariance).

### 2.4 Covariance matrix of $`{}_{\pm }{}^{}\overline{g}_{\mathrm{}m}^{}(k)`$

Since the present-day linear power spectrum is a homogeneous field, its covariance matrix is diagonal:

$$\delta _\mathrm{}m^0(\stackrel{~}{k})\delta _\mathrm{}^{}m^{}^0(\stackrel{~}{k}^{})=\frac{P_\delta ^0(k)}{k^2}\delta ^D(kk^{})\delta _{\mathrm{}\mathrm{}^{}}^K\delta _{mm^{}}^K$$
(25)
where $`\delta ^D`$ is the Dirac delta function, and $`P_\delta ^0(k)`$ is the present-day linear overdensity power spectrum.

The signal part of the covariance matrix is then

$`_\pm \overline{g}_\mathrm{}m(k)_\pm \overline{g}_\mathrm{}^{}m^{}^{}(k^{})`$ $`=`$ $`A^2{\displaystyle \underset{\stackrel{~}{\mathrm{}}\stackrel{~}{m}}{}}{\displaystyle \frac{(\stackrel{~}{\mathrm{}}+2)!}{(\stackrel{~}{\mathrm{}}2)!}}_\pm W_\mathrm{}\stackrel{~}{\mathrm{}}^{m\stackrel{~}{m}}{}_{\pm }{}^{}W_{\mathrm{}^{}\stackrel{~}{\mathrm{}}}^{m^{}\stackrel{~}{m}}`$ (26)
$`Z_\mathrm{}\stackrel{~}{\mathrm{}}(k,k_1)Z_\mathrm{}^{}\stackrel{~}{\mathrm{}}(k^{},k_2)M_{\stackrel{~}{\mathrm{}}\stackrel{~}{\mathrm{}}}(k_1,k_3)M_{\stackrel{~}{\mathrm{}}\stackrel{~}{\mathrm{}}}(k_2,k_4)`$
$`{\displaystyle \frac{\eta _\stackrel{~}{\mathrm{}}(k_3,k_5)\eta _\stackrel{~}{\mathrm{}}(k_4,k_5)}{k_5^4}}P_\delta ^0(k_5).`$
Note that if coverage is all-sky, the $`{}_{\pm }{}^{}W`$ matrices become delta functions and the covariance matrix simplifies considerably to

$`_\pm \overline{g}_\mathrm{}m(k)_\pm \overline{g}_\mathrm{}^{}m^{}^{}(k^{})`$ $`=`$ $`A^2{\displaystyle \frac{(\mathrm{}+2)!}{(\mathrm{}2)!}}Z_{\mathrm{}\mathrm{}}(k,k_1)Z_{\mathrm{}\mathrm{}}(k^{},k_2)`$ (27)
$`M_{\mathrm{}\mathrm{}}(k_1,k_3)M_{\mathrm{}\mathrm{}}(k_2,k_4){\displaystyle \frac{\eta _{\mathrm{}}(k_3,k_5)\eta _{\mathrm{}}(k_4,k_5)}{k_5^4}}P_\delta ^0(k_5)\delta _{\mathrm{}\mathrm{}^{}}^K\delta _{mm^{}}^K.`$
### 2.5 Shot Noise

The shot noise can be computed via standard methods (e.g. ?), by dividing the volume into cells $`i`$ containing $`n_i=0`$ or $`1`$ galaxy.

$${}_{\pm }{}^{}\widehat{g}_{\mathrm{}m}^{}(k)\sqrt{\frac{2}{\pi }}\underset{\mathrm{cells}i}{}n_i\widehat{\gamma }_{\pm i}j_{\mathrm{}}(ks_i)_{\pm 2}Y_{\mathrm{}}^m(\widehat{𝐧}_i).$$
(28)
so

$`_\pm \widehat{g}_\mathrm{}m(k)_\pm \widehat{g}_\mathrm{}^{}m^{}^{}(k^{})`$ $`=`$ $`{\displaystyle \frac{2}{\pi }}{\displaystyle \underset{ij}{}}n_in_j\widehat{\gamma }_{\pm i}\widehat{\gamma }_{\pm j}^{}j_{\mathrm{}}(ks_i)`$ (29)
$`j_{\mathrm{}}(ks_j)_{\pm 2}Y_{\mathrm{}}^m(\widehat{𝐧}_i)_{\pm 2}Y_{\mathrm{}}^m(\widehat{𝐧}_j).`$
Assuming the shear field is uncorrelated with the presence or absence of a source galaxy, $`n_in_j\widehat{\gamma }_{\pm i}\widehat{\gamma }_{\pm j}^{}=n_in_j\widehat{\gamma }_{\pm i}\widehat{\gamma }_{\pm j}^{}`$. Ignoring the small correlations in the smoothed density field,

$`n_in_j`$ $`=`$ $`n_i(i=j)`$ (30)
$`n_in_j(ij).`$
The shot noise comes from the term $`i=j`$, for which

$$|\widehat{\gamma }_{\pm i}|^2=|\gamma _{\pm i}|^2+\frac{\sigma _e^2}{4}$$
(31)
where the second term will dominate for weak lensing. Thus the shot noise may be written

$`_\pm \widehat{g}_\mathrm{}m(k)_\pm \widehat{g}_\mathrm{}^{}m^{}^{}(k^{})_{SN}`$ $`=`$ $`{\displaystyle \frac{\sigma _e^2}{2\pi }}{\displaystyle 𝑑sf_K^2(s)\overline{n}(s)}`$ (32)
$`j_{\mathrm{}}(ks)j_{\mathrm{}^{}}(k^{}s)_\pm W_{\mathrm{}\mathrm{}^{}}^{mm^{}}`$
$`=`$ $`{\displaystyle \frac{\sigma _e^2}{4}}M_{\mathrm{}\mathrm{}^{}}(k,k^{})_\pm W_{\mathrm{}\mathrm{}^{}}^{mm^{}},`$
using the definition (22).

## 3 Estimation of cosmological parameters

Various parts of this analysis are dependent on cosmological parameters: the matter power spectrum $`P_\delta ^0(k)`$; the components of the metric $`r(z)`$ and $`f_K[r(z)]`$; the growth rate of perturbations $`g(t)`$. These parameters ($`\{\theta _\alpha \}`$) may be estimated from the data using likelihood methods. Assuming uniform priors for the parameters, the maximum a posteriori probability for the parameters is given by the maximum likelihood solution. For large-scale modes we use a gaussian likelihood

$$2\mathrm{ln}L(𝐠|\{\theta _\alpha \})=\mathrm{constant}det(C)𝐠C^1𝐠$$
(33)
where $`C=S+N`$ is the covariance matrix, given by signal and noise terms (26) and (32). Note that the average values of g (the set of $`{}_{\pm }{}^{}\widehat{g}_{\mathrm{}m}^{}(k)`$) is zero, so the information on the parameters comes from the dependence of the signal part of $`C`$. i.e. we adjust the parameters until the covariance  of the model matches that of the data. This was the approach of ? and ? in analysis of large-scale galaxy data.

Considering the vector g as the data set has some advantages over more traditional methods such as the shear correlation function or the shear variance. The main one is that it is linear in the shear, so the covariance matrix is quadratic, and readily calculable. Quadratic estimators such as the shear correlation function have 4th order covariances, which can be cumbersome to calculate, even in gaussian, linear theory. We do, however, make an assumption that the covariance matrix is gaussian, and it requires numerical simulations to establish for which ranges of $`k`$ and $`\mathrm{}`$ this is a good approximation.

### 3.1 Expected errors on cosmological parameters - the Fisher matrix

For a given experimental setup, the Fisher matrix gives the best errors to expect, provided that the likelihood surface near the peak is adequately approximated by a multivariate gaussian. We illustrate the effectiveness of a 3D analysis by analysing an all-sky survey with the following details, and compare some of the results with a 2D analysis of the same data. For smaller surveys, a reasonable approximation is to scale the errors by $`f_{sky}^{1/2}`$, where $`f_{sky}`$ is the fraction of sky observed. We assume that the average number density is $`n(z)z^2\mathrm{exp}\left[(z/z_{})^{1.5}\right]`$ (cf (?)), where $`z_{}=z_m/1.412`$ and $`z_m`$ is the median redshift of the survey, which we take to be 1. We assume a source density of 30 or 100 per square arcminute, errors on the ellipticity of 0.2 or 0.3, and a $`\mathrm{\Lambda }CDM`$ model with matter and vacuum density parameters of $`\mathrm{\Omega }_m=0.3`$, $`\mathrm{\Omega }_v=0.7`$.

The Fisher matrix is the expectation value of the second derivative of the $`\mathrm{ln}L`$ with respect to the parameters $`\theta _\alpha `$:

$$F_{\alpha \beta }=\frac{^2\mathrm{ln}L}{\theta _\alpha \theta _\beta }$$
(34)
and the marginal error on parameter $`\theta _\alpha `$ is $`\sqrt{(F^1)_{\alpha \alpha }}`$ (?). If the means of the data are fixed, the Fisher matrix can be calculated from the covariance matrix and its derivatives by (?)

$$F_{\alpha \beta }=\frac{1}{2}\mathrm{Trace}\left[C^1C_{,\alpha }C^1C_{,\beta }\right].$$
(35)
For an all-sky survey, this simplifies, because modes with different $`\mathrm{}`$ and $`m`$ are uncorrelated ($`{}_{\pm }{}^{}W_{\mathrm{}\mathrm{}^{}}^{mm^{}}=\delta _{\mathrm{}\mathrm{}^{}}^K\delta _{mm^{}}^K`$), so, defining $`C^{\mathrm{}}`$ as the covariance matrix for the modes with harmonic $`\mathrm{}`$ (and different $`k`$),

$$F_{\alpha \beta }=\frac{1}{2}\underset{\mathrm{}}{}(2\mathrm{}+1)\mathrm{Trace}\left[(C^{\mathrm{}})^1C_{,\alpha }^{\mathrm{}}(C^{\mathrm{}})^1C_{,\beta }^{\mathrm{}}\right].$$
(36)
For illustration, we have considered modes up to $`\mathrm{}=100`$, and 100 $`k`$ modes spaced equally between $`k=0.001`$ and $`0.1h`$Mpc<sup>-1</sup>. These should be safely in the linear regime. The $`\mathrm{}`$ range can be extended, but at some point the linear approximation will break down, and the likelihood expression will deviate from a gaussian. The former may be tackled by using a nonlinear power spectrum, such as proposed by ?; the latter will need to be assessed by computer simulation.

### 3.2 Power spectrum amplitude

Fig. 1 and 2 show the improvement in the error on the fractional amplitude of the power spectrum as the number of $`\mathrm{}`$ modes is increased up to $`\mathrm{}=100`$. For a 2D analysis, ignoring the distance information altogether, except for assuming $`n(z)`$ is known, the error is 1.4% for $`\mathrm{}100`$. Using the photometric redshift distance information improves this to $`0.9\%`$, assuming, perhaps optimistically, that the photometric redshift error is $`0.02`$.

The improvement depends on the characteristics of the survey. Generally speaking, the better the lensing survey (higher number density of source galaxies, smaller ellipticity errors), the better the 3D analysis does in comparison with 2D, at least on the scales shown here. The reason is simply that the 3D modes are generally noisy, whereas the large-scale 2D modes are not. Improving the survey brings in more effective 3D modes which have good signal-to-noise. The effective number of good radial modes is investigated further in the Karhunen-Loeve analysis of section 4.

The Fisher analysis can be extended to calculate the errors arising if we estimate band powers from the 3D lensing data. The Fisher matrix is calculated as before, and its inverse used to estimate the errors on the band powers. Fig. 3 shows what may be achieved realistically for a survey of 10% of the sky, with a median redshift of 1. Fig. 4 is for an optimistic all-sky survey and optimistic errors.

### 3.3 Vacuum Energy equation of state

The most exciting prospect of 3D lensing analysis is to measure the equation of state parameter, $`w`$, of the vacuum energy, defined in terms of its pressure and energy density by $`p_v=w\rho _vc^2`$. The equation of state of the vacuum energy influences the lensing signal in two ways. Firstly, the growth rate of perturbations differs; secondly, the distance-redshift relation is changed. I use the growth rate from ? for quintessence models, and the distance-redshift relation is obtained from the integral

$$r=_0^z\frac{dz^{}}{H(z^{})}$$
(37)
where for flat models $`H(z)=H_0[(1\mathrm{\Omega }_v)(1+z)^3+\mathrm{\Omega }_v(1+z)^{3(1+w)}]^{1/2}`$ is the Hubble parameter in terms of the present day Hubble parameter $`H_0`$, and $`\mathrm{\Omega }_v`$ is the present vacuum energy density parameter.

The sensitivity to $`w`$ can then be calculated by computing the Fisher matrix (scalar), equation (36), where the derivative of the covariance matrix is obtained by finite differencing. Note that this figure is optimistic in the sense that the errors it produces assume that all other parameters are known, not altogether unrealistic with the success of microwave background experiments. On the other hand, $`\mathrm{}=40`$ is a reasonably large scale ($`5^{}`$), and there is more information available at higher $`\mathrm{}`$, so 1% accuracy is probably achievable.

## 4 Karhunen-Loève analysis

For all-sky surveys, the coupling of modes is only between those of the same $`\mathrm{}`$ and $`m`$, so the data analysis task is relatively straightforward, as each set of $`\mathrm{}`$ and $`m`$ can be analysed separately. For partial sky coverage, the modes get mixed, and the covariance matrix gets very large. Data compression techniques such as signal-to-noise eigenmodes, Karhunen-Loève (KL) transformations and the like can be extremely valuable in reducing the size of the data set whilst having minimal impact on the error bars on the recovered parameters. These have been used extensively in studies of large-scale structure and the microwave background (refs).

The procedure is detailed, for example, in ?, and involves finding linear combinations of the data which are uncorrelated and which are ordered in decreasing order of the information which they yield on a parameter. This involves solving a generalised eigenvalue problem

$$C_{,\alpha }𝐛=\lambda C𝐛$$
(38)
where $`\theta _\alpha `$ is the parameter of interest. The eigenvalues $`\lambda `$ quantify how much information each linear combination $`𝐛𝐱`$ of the data $`𝐱`$ provides, and very often this declines sharply with mode number, so the dataset can be compressed substantially without significantly increasing the error bar. Here, we calculate the KL modes appropriate for the (natural log of the) amplitude of the matter power spectrum, in which case $`C_{,\alpha }=S`$. The problem then is equivalent to finding signal-to-noise eigenmodes, e.g.?. Fig. 6 shows the signal-to-noise of the best modes for each of the low-order multipoles. We see that there are roughly 4 useful modes with $`S/N>1`$. In other words, there is some extra information on the power spectrum coming from the 3D information, but the added accuracy is limited - the analysis had 100 radial wavenumbers. This is broadly in agreement with the findings of ?, who found that division of the source population into two, on the basis of redshift, improved the error bars on the power spectrum by a factor of 2, but that further division yielded little extra accuracy.

It is quite instructive to look at the KL modes themselves. Fig. 7 shows the best radial KL modes corresponding with the low-order angular multipoles. We see several interesting features. Firstly, the best two modes between them weight the data reasonably uniformly, apart from a drop-off at small distances. This latter behaviour is expected, as the lensing is ineffective at low redshift. The near-uniform weighting suggests that a 2D survey is not too bad - it corresponds to equal weighting, and matches quite well the single best mode of the KL analysis. For other parameters, this may not hold.

The other interesting and encouraging feature of these graphs is that the good modes are long-wavelength, suggesting that having precise photometric redshifts is not necessary to get most of the information present in the data.

## 5 Conclusions

In this paper, I have shown how photometric redshifts may be used to perform a full 3D statistical analysis of the shear field in weak lensing surveys. With photometric redshifts, one has an estimate of the lensing shear field at a the (estimated) positions of the source galaxies in three dimensions, and there is no particular reason to throw this away by ignoring the distance information or by dividing the source galaxy population into shells.

Determining the properties of the vacuum energy, which makes up $`70\%`$ of the energy density of the Universe, is one the most important current goals in cosmology. These properties are not easy to determine accurately using the microwave background alone, which has been so successful in recent years in pinning down other cosmological parameters (e.g. ?). I show in this paper that 3D lensing analysis offers the possibility of high-precision measurement of the equation of state parameter $`w`$ (defined such that the vacuum has $`p_v=w\rho _vc^2)`$, with an accuracy of 1% being a realistic possibility. With higher angular resolution than investigated here, the prospects of getting good constraints on $`w(z)`$ are good, and the possibilities of testing specific predictions of $`w(z)`$ from models of the vacuum energy are excellent. For other parameters, such as the amplitude of the matter power spectrum, 3D information reduces the error bars by modest factors. A signal-to-noise eigenmode analysis suggests that there are a few radial modes which are useful for this purpose. This analysis also shows that the high signal-to-noise modes have little high-frequency structure, so even modestly accurate photometric redshifts can be useful.

In addition to the advantages in reducing the statistical error on parameters, photometric redshifts also allow elimination of a number of possible systematic effects, arising from physical processes, which could otherwise eventually limit the accuracy of weak lensing studies. For cosmic shear measurements in particular, the dominant physical systematic may be the intrinsic alignment of galaxies arising from tidal forces during and after formation (??????). ? and ? showed how photometric redshifts can be used to remove nearby pairs from the analysis and essentially remove the intrinsic alignment contamination to high accuracy. The advantages in reduced statistical and systematic errors make a compelling case for obtaining photometric redshifts for cosmic shear surveys.

## 6 Acknowledgments

I would like to thank Andy Taylor, Meghan Gray, David Bacon and Catherine Heymans for useful discussions.


text:
# Near-Horizon States of Black Holes and Calogero Models

## Abstract

We find self-adjoint extensions of the rational Calogero model in presence of the harmonic interaction. The corresponding eigenfunctions may describe the near-horizon quantum states of certain types of black holes.

Calogero model, Self-adjoint extension, Black Holes  preprint: SINP-TNP/03-08

The dynamics of particles or fields in the near-horizon region of black holes town1 ; town2  is often described in terms of the Calogero Model calo . In particular, it has been shown that the existence of the near-horizon conformal symmetry carlip  as well as the logarithmic correction to the black hole entropy kaul  can be described in terms of the self-adjoint extension reed  of the Calogero model in absence of the confining potential ksg ; ksg1 . On the other hand, it has been argued that in certain string theoretic description of black holes, the near-horizon dynamics is governed by a many particle Calogero model in presence of the confining potential town2 . It is therefore of interest to find the quantum states of this model in presence of the self-adjoint extension. These states would be expected to encode the dynamics for such black holes. A more detailed description of the analysis presented below can be found in Ref. ksg2 .

The Hamiltonian of the $`N`$\- particle rational Calogero model calo  is given by

$$H=\underset{i=1}{\overset{N}{}}\frac{^2}{x_i^2}+\underset{ij}{}\left[\frac{a^2\frac{1}{4}}{(x_ix_j)^2}+\frac{\mathrm{\Omega }^2}{16}(x_ix_j)^2\right]$$
(1)
where $`a`$, $`\mathrm{\Omega }`$ are constants, $`x_i`$ is the coordinate of the $`i^{\mathrm{th}}`$ particle and units have been chosen such that $`2m\mathrm{}^2=1`$. We are interested in finding normalizable solutions of the eigenvalue problem $`H\psi =E\psi `$ in a situation where the system admits self-adjoint extensions. We consider the above eigenvalue equation in a sector of configuration space corresponding to a definite ordering of particles given by $`x_1x_2\mathrm{}x_N`$. The translation-invariant eigenfunctions of the Hamiltonian $`H`$ can be written as

$$\psi =\underset{i<j}{}\left(x_ix_j\right)^{a+\frac{1}{2}}\varphi (r)P_k(x),$$
(2)
where $`x(x_1,x_2,\mathrm{},x_N)`$, $`r^2=\frac{1}{N}_{i<j}(x_ix_j)^2`$ and $`P_k(x)`$ is a translation-invariant as well as homogeneous polynomial of degree $`k(0)`$ calo . The radial part of the wavefunction satisfies the equation $`\stackrel{~}{H}\varphi =E\varphi `$ where

$$\stackrel{~}{H}=\left[\frac{d^2}{dr^2}(1+2\nu )\frac{1}{r}\frac{d}{dr}+w^2r^2\right],$$
(3)
$`w^2=\frac{1}{8}\mathrm{\Omega }^2N`$ and $`\nu =k+\frac{1}{2}(N3)+\frac{1}{2}N(N1)(a+\frac{1}{2})`$.

The Hamiltonian $`\stackrel{~}{H}`$ is a symmetric (Hermitian) operator on the domain $`D(\stackrel{~}{H})\{\varphi (0)=\varphi ^{}(0)=0,\varphi ,\varphi ^{}\mathrm{absolutely}\mathrm{continuous}\}`$. However, when $`1<\nu <1`$, $`\stackrel{~}{H}`$ is not self-adjoint in $`D(\stackrel{~}{H})`$ but admits a one-parameter family of self-adjoint extensions reed ; ksg2  labelled by $`\mathrm{e}^{iz}`$ where $`zR(\mathrm{mod}2\pi )`$. For $`\nu 0`$, the spectrum is determined by the equation

$$f(E)\frac{\mathrm{\Gamma }\left(\frac{1\nu }{2}\frac{E}{4w}\right)}{\mathrm{\Gamma }\left(\frac{1+\nu }{2}\frac{E}{4w}\right)}=\frac{\xi _2\mathrm{c}os(\frac{z}{2}\eta _1)}{\xi _1\mathrm{c}os(\frac{z}{2}\eta _2)},$$
(4)
where $`\mathrm{\Gamma }\left(\frac{1+\nu }{2}+\frac{i}{4w}\right)\xi _1\mathrm{e}^{i\eta _1}`$ and $`\mathrm{\Gamma }\left(\frac{1\nu }{2}+\frac{i}{4w}\right)\xi _2\mathrm{e}^{i\eta _2}`$. This equation is plotted in the figure below. The corresponding eigenfunctions are given by

$$\varphi (r)=B\mathrm{e}^{\frac{wr^2}{2}}U(d,c,wr^2),$$
(5)
where $`c=1+\nu `$, $`d=\frac{1+\nu }{2}\frac{E}{4w}`$, $`B`$ is a constant and $`U`$ denotes the confluent hypergeometric function of the second kind.

For given values of the parameters $`\nu `$ and $`w`$, the bound state energy $`E`$ is obtained from Eqn. (4) as a function of $`z`$. Different choices of $`z`$ thus leads to inequivalent quantizations of the many-body Calogero model. It may be mentioned that the self-adjoint extensions described above exist for all values of $`N`$ and for higher ”angular momentum” ($`k0`$) sectors of the theory as well.

The following features about the spectrum may be noted:
1) We have obtained the spectrum analytically when the r.h.s. of Eqn. (4) is either 0 or $`\mathrm{}`$. When the r.h.s. of Eqn. (4) is $`0`$, we get $`E_n=2w(2n+\nu +1)`$ where $`n`$ is a positive integer, corresponding to the choice of $`z=z_1=\pi +2\eta _1`$. Similarly, when the r.h.s. of Eqn. (4) is $`\mathrm{}`$, we get $`E_n=2w(2n\nu +1)`$ corresponding to the value of $`z`$ given by $`z=z_2=\pi +2\eta _2`$. For choices of $`z`$ other than $`z_1`$ or $`z_2`$, the nature of the spectrum can be understood from Figure 1, which is a plot of Eqn. (4) for specific values of $`\nu ,z`$ and $`w`$. In that plot, the horizontal straight line corresponds to the r.h.s of Eqn. (4). The energy eigenvalues are obtained from the intersection of $`f(E)`$ with the horizontal straight line. Note that the spectrum generically consists of infinite number of positive energy solutions and at most one negative energy solution.
2) Contrary to the spectrum of the rational Calogero model, the energy spectrum obtained from Eqn. (4) is not equispaced for finite values of $`E`$ and for generic values of $`z`$. This may seem surprising with the presence of $`SU(1,1)`$ as the spectrum generating algebra in this system fub , which demands that the eigenvalues be evenly spaced. However, when $`zz_1`$, $`z_2`$, the generator of dilatations does not in general leave the domain of the Hamiltonian invariant dh ; ksg1 . Consequently, $`SU(1,1)`$ cannot be implemented as the spectrum generating algebra except for $`z=z_1`$, $`z_2`$.

It is plausible that the eigenfunctions described above would describe the near-horizon quantum states of certain types of black holes as described in Ref. town2 . Calculation for the corresponding density of states and entropy would be of future interest.

Acknowledgments : The work of PKG is supported(DO No. SR/FTP/PS-06/2001) by the SERC, DST, Govt. of India, under the Fast Track Scheme for Young Scientists:2001-2002.


text:
# Global Superdiffusion of Weak Chaos

## Abstract

A class of kicked rotors is introduced, exhibiting accelerator-mode islands (AIs) and global superdiffusion for arbitrarily weak chaos. The corresponding standard maps are shown to be exactly related to generalized web maps taken modulo an “oblique cylinder”. Then, in a case that the web-map orbit structure is periodic in the phase plane, the AIs are essentially normal web islands folded back into the cylinder. As a consequence, chaotic orbits sticking around the AI boundary are accelerated only when they traverse tiny “acceleration spots”. This leads to chaotic flights having a quasiregular steplike structure. The global weak-chaos superdiffusion is thus basically different in nature from the strong-chaos one in the usual standard and web maps.

The complexity and rich variety of dynamical behaviors of Hamiltonian systems with two degrees of freedom is well exhibited by simple 1D time-periodic models. A realistic paradigm is the kicked rotor with Hamiltonian $`H=p^2/2+V(x)_{n=\mathrm{}}^{\mathrm{}}\delta (tn)`$, where $`p`$ is angular momentum, $`x`$ is angle on a circle $`𝒮=[\pi ,\pi )`$, and the potential $`V(x)`$ is usually chosen as $`V(x)=\kappa \mathrm{cos}x`$, $`\kappa `$ being a nonintegrability parameter. The phase space is a cylinder and the values of $`(x,p)`$ at integer times $`t=n0`$ are related by the “standard” map

$$𝚽_\mathrm{s}:p_{n+1}=p_n+f(x_n),x_{n+1}=x_n+p_{n+1}\text{mod }𝒮,$$
(1)
where $`f(x)=dV/dx=\kappa \mathrm{sin}x`$. For $`\kappa >\kappa _\mathrm{c}0.9716`$, this map features global chaos, i.e., a connected chaotic region unbounded in the $`p`$ direction and ranging from $`x=\pi `$ to $`x=\pi `$ . The average kinetic energy of an ensemble in this region grows diffusively, $`p_n^2/2n`$ . For $`\kappa `$ significantly larger than $`\kappa _\mathrm{c}`$ (strong-chaos regime), there emerge accelerator-mode islands (AIs)  moving ballistically ($`p_nn`$). Then, chaotic orbits sticking around the boundary of an AI perform also ballistic motion. This leads to long chaotic “flights” and to superdiffusion of the global chaos, $`p_n^2/2n^\mu `$ ($`1<\mu <2`$) .

In this paper, we introduce a class of kicked rotors exhibiting AIs and global superdiffusion for arbitrarily weak chaos. These systems correspond to standard maps (1) with

$$f(x)=Ks(x)+\kappa g(x),$$
(2)
where $`4<K<2`$, $`\kappa `$ is a perturbation parameter, $`s(x)`$ is the sawtooth function \[$`s(x)=x`$ for $`x𝒮`$ and $`s(x+2\pi )=s(x)`$\], and $`g(x)`$ is a general smooth $`2\pi `$-periodic function. We denote these maps, for $`4<K<0`$, by $`𝚽_\mathrm{s}^{(K,\kappa )}`$. For $`\kappa =0`$, $`𝚽_\mathrm{s}^{(K,0)}`$ exhibits generically a pseudochaotic behavior (zero Lyapunov exponent) ; important exceptions, with regular elliptic motion, are the cases of integer $`K=3,2,1`$ . For small $`\kappa `$, weak chaos emerges, see Fig. 1. The superdiffusion for $`4<K<2`$ is usually characterized by large values of $`\mu `$ (for $`\kappa =0`$, $`\mu \mu _{\mathrm{max}}=2`$). To get a better understanding of the nature of the AIs and the chaotic flights responsible for the superdiffusion, we first show that $`𝚽_\mathrm{s}^{(K,\kappa )}`$ is exactly related to a “web map”  taken modulo an “oblique cylinder”. A generalized web map $`𝚽_\mathrm{w}`$ on a phase plane $`𝐰(u,v)`$ (column vector) is defined by:

$$𝚽_\mathrm{w}:𝐰_{n+1}=A[𝐰_n+𝐅(𝐰_n)],$$
(3)
where $`A=(\mathrm{cos}\alpha ,\mathrm{sin}\alpha ;\mathrm{sin}\alpha ,\mathrm{cos}\alpha )`$ is the matrix for a rotation by angle $`\alpha `$ and $`𝐅(𝐰)`$ is a vector function periodic in $`𝐰`$. For integer $`K`$, the orbit structure of $`𝚽_\mathrm{w}`$ is periodic in the phase plane. Then, the AIs of $`𝚽_\mathrm{s}^{(K,\kappa )}`$ for $`K=3`$ are essentially normal (nonaccelerating) islands of $`𝚽_\mathrm{w}`$ folded back into the cylinder. This fact makes these AIs basically different from usual AIs  and has a significant impact on the nature of the chaotic flights, as we show by studying in detail the case of $`K=3`$ with $`g(x)=\mathrm{sin}x`$. While elliptic orbits deep inside an AI move ballistically, chaotic orbits sticking to the AI boundary perform ballistic motion only when they pass through very small regions which we call “acceleration spots”. The rest (the majority) of the AI boundary behaves like that of a normal island, so that the chaotic orbits perform a completely bounded motion on it. This gives rise to chaotic flights having a quasiregular steplike structure which becomes increasingly pronounced as $`\kappa 0`$.

To establish the relation between $`𝚽_\mathrm{s}^{(K,\kappa )}`$ and $`𝚽_\mathrm{w}`$, consider first a map $`𝚿^{(K,\kappa )}`$ obtained from (1) by removing the mod $`𝒮`$ and by using (2) with $`s(x)`$ replaced by $`x`$. This map, defined on the entire phase plane of $`𝐳(x,p)`$, can be written as follows:

$$𝚿^{(K,\kappa )}:𝐳_{n+1}=B[𝐳_n+𝐆(𝐳_n)],$$
(4)
where $`B`$ is the matrix $`(K+1,1;K,1)`$ and $`𝐆(𝐳)=\kappa g(x)(0,1)`$. For $`4<K<0`$, one can easily verify that $`B=Q^1AQ`$, where $`A=(\mathrm{cos}\alpha ,\mathrm{sin}\alpha ;\mathrm{sin}\alpha ,\mathrm{cos}\alpha )`$ with

$$2\mathrm{cos}\alpha =K+2$$
(5)
and $`Q=(k,k/2;0,1/2)`$ with $`k\mathrm{tan}(\alpha /2)`$. Thus, the composition $`Q𝚿^{(K,\kappa )}Q^1`$ is precisely a web map (3) with $`𝐰=(u,v)=Q𝐳`$ and $`𝐅(𝐰)=Q𝐆(Q^1𝐰)`$. Explicitly, $`𝐅(𝐰)=(\kappa /2)g(v+u/k)(k,1)`$. We denote by $`𝒞=[\pi ,\pi )\times (\mathrm{},\mathrm{})`$ the cylindrical phase space for $`𝚽_\mathrm{s}^{(K,\kappa )}`$ and define $`𝚿_𝒞^{(K,\kappa )}`$ as the map (4) with $`x_{n+1}`$ (in first equation) taken modulo $`𝒮`$. Clearly, if we restrict ourselves to initial conditions $`𝐳_0𝒞`$, $`𝚿_𝒞^{(K,\kappa )}=𝚽_\mathrm{s}^{(K,\kappa )}`$. The image of $`𝒞`$ under $`Q`$ is an “oblique cylinder” $`𝒞_\alpha `$, i.e., the strip bounded by the lines $`v=\pm \pi u/k`$. We define the web map “modulo $`𝒞_\alpha `$” as

$$\stackrel{~}{𝚽}_\mathrm{w}=𝚽_\mathrm{w}\mathrm{mod}𝒞_\alpha :𝐰_{n+1}=A[𝐰_n+𝐅(𝐰_n)]m\stackrel{~}{𝐰},$$
(6)
where $`\stackrel{~}{𝐰}=Q(2\pi ,0)=(2\pi k,0)`$ and $`m`$ is the unique integer such that $`𝐰_{n+1}`$ $`𝒞_\alpha `$. The following exact relation then holds for all orbits with initial conditions $`𝐳_0𝒞`$ (or $`𝐰_0𝒞_\alpha `$):

$$𝚽_\mathrm{s}^{(K,\kappa )}=𝚿_𝒞^{(K,\kappa )}=Q^1\stackrel{~}{𝚽}_\mathrm{w}Q\text{.}$$
(7)
For integer $`K=3,2,1`$ \[corresponding, by Rel. (5), to $`q2\pi /\alpha =3,4,6`$, respectively\], it is easy to show that the orbit structure of $`𝚿^{(K,\kappa )}`$ is periodic with unit cell $`𝕋^2=[\pi ,\pi )^2`$. This implies a similar periodicity for $`𝚽_\mathrm{w}=Q𝚿^{(K,\kappa )}Q^1`$ with unit cell $`𝕋_\alpha ^2=Q𝕋^2`$. In fact, $`𝚽_\mathrm{w}`$ has crystalline symmetry (triangular, square, hexagonal for $`q=3,4,6`$, respectively) . One can then expect the existence of an extended chaotic orbit having this symmetry and forming a “stochastic web”. This web, which has been observed for particular maps $`𝚽_\mathrm{w}`$ , encircles the torus $`𝕋_\alpha ^2`$ in two independent directions. This implies global chaos for the map (6) in $`𝒞_\alpha `$ and, due to (7), also for $`𝚽_\mathrm{s}^{(K,\kappa )}`$ in $`𝒞`$.

For noninteger $`K`$, the maps $`𝚿^{(K,\kappa )}`$ and $`𝚽_\mathrm{w}`$ exhibit no periodicity and there is no simple relation between the orbit structures of $`𝚽_\mathrm{s}^{(K,\kappa )}`$ and $`𝚽_\mathrm{w}`$. In the $`\kappa =0`$ case, theoretical arguments and numerical evidence  strongly indicate that for irrational $`q`$ the torus $`𝕋^2`$ can be partitioned into two regions having nonzero area: (a) A connected pseudochaotic region (zero Lyapunov exponent). (b) An apparently dense set of elliptic islands whose boundaries do not cross or touch the discontinuity line $`x=\pi `$. Because of the last fact, the pseudochaotic region encircles $`𝕋^2`$ in both the $`x`$ and $`p`$ directions, implying global pseudochaos in $`𝒞`$. This will generally turn into global weak chaos when a small perturbation $`\kappa g(x)`$ is applied. Fig. 1(b) shows an example for $`\alpha =\pi (\sqrt{5}1)/2`$ ($`K2.7247`$) and $`\kappa =0.15`$.

Accelerator-mode fixed points (AFPs) of (1) satisfy $`p_1p_0=2\pi j`$ and $`x_1=x_0=x_1p_1+2\pi j^{}`$ for integers $`j0`$ and $`j^{}`$. One can choose $`p_0=0`$ and, for $`𝚽_\mathrm{s}^{(K,0)}`$ ($`\kappa =0`$), we get $`x_0=2\pi j/K`$. Since $`x_0(\pi ,\pi )`$, one must have $`j=\pm 1`$ and $`4<K<2`$. The latter results remain essentially unchanged for sufficiently small $`\kappa `$. The AFPs are surrounded by relatively large AIs (see Fig. 1) and a strong superdiffusion (large $`\mu `$) was always observed numerically for $`4<K<2`$. In what follows, we shall study in detail the case of $`K=3`$ with $`g(x)=\mathrm{sin}x`$ on the basis of Rel. (7). Fig. 2 shows the stochastic web of $`𝚽_\mathrm{w}`$ ($`q=3`$) for $`\kappa =0.8`$. The “cylinder” $`𝒞_\alpha `$ is the oblique strip bounded by the parallel dashed lines. Together with these lines, the two horizontal dashed segments define the unit cell $`𝕋_\alpha ^2`$ in which there appears, up to the transformation $`Q`$ in (7), the chaotic region in Fig. 1(a). The $`j`$th unit cell in $`𝒞_\alpha `$, $`j=\mathrm{},\mathrm{},\mathrm{}`$, contains one “hexagonal” island Hj and two “triangular” islands, Lj and Rj. The hyperbolic (x) points $`a`$, $`b`$, $`d`$, and $`e`$ lie on the boundaries of $`𝒞_\alpha `$ while $`c`$ and $`f`$ are inside $`𝒞_\alpha `$. The points $`a`$, $`b`$, $`c`$ are equivalent, modulo $`𝕋_\alpha ^2`$, to $`d`$, $`e`$, $`f`$, respectively. It is interesting to see first how the AFPs emerge according to (7). The islands Hj, Lj, Rj are invariant under $`𝚽_\mathrm{w}^3`$ and their centers CHj, CLj, CRj are fixed points of $`𝚽_\mathrm{w}^3`$ which are rotated clockwise by $`\alpha =2\pi /3`$ under $`𝚽_\mathrm{w}`$. Then, denoting $`𝚽_\mathrm{w}`$ by $``$ and “modulo $`𝒞_\alpha `$” by $``$, it is clear from Fig. 2 that CL$`{}_{1}{}^{}`$ CL$`{}_{0}{}^{}`$ CL$`{}_{0}{}^{}`$ CL$`{}_{1}{}^{}`$ CL$`{}_{1}{}^{}`$ CL2. In general, we see that $`\stackrel{~}{𝚽}_\mathrm{w}(`$CH$`{}_{j}{}^{})=`$ CHj, $`\stackrel{~}{𝚽}_\mathrm{w}(`$CL$`{}_{j}{}^{})=`$ CLj+1, and $`\stackrel{~}{𝚽}_\mathrm{w}(`$CR$`{}_{j}{}^{})=`$ CRj-1, so that CLj and CRj correspond to the AFPs and Lj and Rj correspond to the AIs.

Extensive numerical observations indicate that for small $`\kappa `$ a chaotic orbit is always a random sequence of three types of motion: (a) A “H-motion”, bounded in $`p`$, sticking around the boundary of Hj. (b) A “flight” in the positive or (c) negative $`p`$ direction, accompanied by stickiness to the boundary of Lj or Rj, respectively. Remarkably, a flight was always found to be a quasiregular sequence of steps. An example of such a flight, interrupted by a H-motion, is shown in Fig. 3 for $`\kappa =0.3`$. Very long, uninterrupted flights (of at least $`10^6`$ iterations) were usually observed for $`\kappa 0.3`$. The steps in the flights clearly leave their fingerprints in the strong superdiffusion of $`p_n^2/2`$, at least for small $`n`$ (see inset in Fig. 3). This steplike structure will now be explained using Rel. (7). The notation $`a(`$L$`{}_{j}{}^{})`$ (and similar notation for other x points and islands) will indicate a web (chaotic) point sticking to the Lj boundary very close to $`a`$ and inside $`𝒞_\alpha `$; if this point is outside $`𝒞_\alpha `$, it will be denoted by $`\overline{a}(`$L$`{}_{j}{}^{})`$. For small $`\kappa >0`$, $`𝚽_\mathrm{w}`$ is almost a clockwise rotation by $`\alpha =2\pi /3`$ while the motion of web points under $`𝚽_\mathrm{w}^3`$ is a slow drift in the directions of the stable and unstable manifolds, indicated by arrows in Fig. 2. Since the drift velocity vanishes near x points, a cycle such as $`e(`$L$`{}_{1}{}^{})f(`$L$`{}_{0}{}^{})d(`$L$`{}_{0}{}^{})`$ can repeat many times. This cycle will then drift to the cycle $`c(`$L$`{}_{1}{}^{})a(`$L$`{}_{0}{}^{})b(`$L$`{}_{0}{}^{})`$ which can also repeat many times. The cycles $`efd`$ and $`cab`$ give the “horizontal” part of a step, where $`p`$ is bounded around its values at the x points (see Fig. 4). This part contains $`l`$ cycles ($`l=66`$ in Fig. 4), where $`l`$ is the largest integer such that all points $`𝚽_\mathrm{w}^i[e(`$L$`{}_{1}{}^{})]`$, $`i=0,\mathrm{},3l1`$, lie inside $`𝒞_\alpha `$, so that no modulo $`𝒞_\alpha `$ has to be taken in the cycles. The “vertical” part of a step is due to the following process. The last $`cab`$ cycle is followed by the cycle $`c(`$L$`{}_{1}{}^{})a(`$L$`{}_{0}{}^{})\overline{b}(`$L$`{}_{0}{}^{})`$, where $`\overline{b}(`$L$`{}_{0}{}^{})`$ is outside $`𝒞_\alpha `$. Taking then the modulo $`𝒞_\alpha `$, $`\overline{b}(`$L$`{}_{0}{}^{})e(`$L$`{}_{1}{}^{})`$, we see that $`a(`$L$`{}_{0}{}^{})`$ is mapped into $`e(`$L$`{}_{1}{}^{})`$ by $`\stackrel{~}{𝚽}_\mathrm{w}`$. Next, $`\stackrel{~}{𝚽}_\mathrm{w}[e(`$L$`{}_{1}{}^{})]=f(`$L$`{}_{2}{}^{})`$. Thus, since $`c`$ is equivalent to $`f`$, the cycle $`cae`$ is actually an “acceleration” cycle $`fae`$ with $`\stackrel{~}{𝚽}_\mathrm{w}^3[f(`$L$`{}_{1}{}^{})]=f(`$L$`{}_{2}{}^{})`$. The set $`\{a(`$L$`{}_{0}{}^{})\}`$ of all points $`a(`$L$`{}_{0}{}^{})`$ which are mapped into points $`\overline{b}(`$L$`{}_{0}{}^{})`$ by $`𝚽_\mathrm{w}`$ is the “acceleration spot” (AS) in unit cell $`j=0`$. As shown by the inset in Fig. 4, the AS touches the line $`x=\pi `$ ($`x^{}=0`$), corresponding to the lower boundary of $`𝒞_\alpha `$. The cycle $`fae`$ will repeat $`r`$ times ($`r=6`$ in Fig. 4), where $`r`$ is the largest integer such that all points $`\stackrel{~}{𝚽}_\mathrm{w}[f(`$L$`{}_{3i1}{}^{})]mod𝕋_\alpha ^2`$, $`i=0,\mathrm{},r1`$, lie in the AS. After $`r`$ $`fae`$ cycles, one leaves the AS by crossing the line $`x=\pi `$ and arrives to $`\overline{a}(`$L$`{}_{0}{}^{})`$ which is equivalent to $`d(`$L$`{}_{0}{}^{})`$. Thus, $`\stackrel{~}{𝚽}_\mathrm{w}[f(`$L$`{}_{3r1}{}^{})]`$ is equivalent to $`d(`$L$`{}_{0}{}^{})`$, not to $`a(`$L$`{}_{0}{}^{})`$. The horizontal $`efd`$ cycles of the next step then start. This completes the analysis of one step.

Fig. 4 shows a strong trapping near six islands in the AS. In fact, by considering a large number of steps in very long orbits, we found that $`r`$ assumes only two values for $`\kappa =0.3`$: $`r=6`$ with probability $`P0.95`$ and $`r=7`$ with $`P0.05`$. The value of $`l`$ ranges between $`l=53`$ and $`l=82`$. This range should be associated with the continuation of the trapping, outside the AS, near the island chain to which the six AS islands belong. As $`\kappa `$ decreases, the steplike structure of the flights becomes more pronounced and the high regularity of the vertical parts of the steps, i.e., the values of $`r`$, continues to be observed. For $`\kappa =0.2`$, $`l=88136`$ and $`r=11`$ ($`P0.99`$) or $`r=12`$ ($`P0.01`$). For $`\kappa =0.1`$, $`l=150259`$ and $`r=29`$ ($`P0.93`$) or $`r=30`$ ($`P0.07`$).

In conclusion, our study of the $`K=3`$ case indicates that the global superdiffusion of weak chaos is basically different in nature from the superdiffusion observed in the usual standard and web maps . In the latter systems, the AIs are “tangle” islands . These islands born in a strong-chaos regime and are fundamentally different from normal islands, e.g., resonance or web islands, which continue to exist in an integrable limit. Since a tangle island lies inside the lobe of a turnstile , it causes the acceleration of chaotic orbits sticking all around its boundary. On the other hand, Rel. (7) implies that the AIs for $`K=3`$ are essentially normal web islands folded back into the cylinder. As a consequence, one can have a situation that a chaotic orbit sticking to the AI boundary is accelerated only at tiny “acceleration spots”, in sharp contrast with the case of tangle islands. The resulting steplike structure of the chaotic flights is gradually assumed also by elliptic flights with initial conditions approaching the AI boundary from inside the AI. The basic origin of both the AIs and the acceleration spots is the folding-back mechanism. Quantum manifestations of the superdiffusion in the usual standard map are well known  and have been observed in experimental realizations of the quantum kicked rotor . The perturbed sawtooth map (1) with (2) corresponds to a kicked rotor with a nonsmooth potential. The quantum version of such a system is experimentally realizable by, e.g., an optical analogue . It should be then interesting to study the fingerprints of the new kind of superdiffusion in the corresponding quantum systems. Quite recently , the quantum sawtooth map was found to be a suitable model for quantum computation of complex dynamics. The exponential-decay rate of the concurrence (measure of quantum entanglement) was shown to be proportional to the classical diffusion coefficient . The extension of this study to the perturbed sawtooth map, with its new kind of chaotic-transport properties, thus appears to be a natural and interesting future task.

This work was partially supported by the Israel Science Foundation administered by the Israel Academy of Sciences and Humanities.