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# 1 The 𝑝_𝑇 distribution of inclusive prompt photons from the NA14 experiment []. The dash-dotted and solid curves correspond respectively to the Born term and the Born term together with next-to-leading order QCD corrections in GZ model. The dashed curve is 2.65 times the solid curve, the expectation from the gauged HN model.

How do we know the charges of quarks?

Saurabh D. Rindani

Theory Group, Physical Research Laboratory

Navrangpura, Ahmedabad 380 009

Abstract

Experimental tests performed in the past to determine quark charges are reviewed. It is pointed out that only experiments involving two real photons can really distinguish between the Gell-Mann-Zweig scheme of fractional charges from the Han-Nambu scheme of integer charges in the context of a theory with gauged colour interactions. While many experiments with two real photons have been performed, the only experiment with a definitive statement on quark charges was one on hard scattering of real photons at CERN. Some theoretical issues not fully resolved are pointed out.

One of the questions which interested Prof. Rajasekaran from the time he worked on gauge theories in TIFR was the question of quark charges – are they fractional (in accordance with the Gell-Mann-Zweig scheme ) or are they integral (in accordance with the Han-Nambu scheme )? The question was not easily resolved in the context of a theory with gauged colour interactions. He continued to work on it when he moved to Madras.

The colour degree of freedom was incorporated in the Gell-Mann-Zweig (GZ) scheme with a colour triplet of quarks of each flavour, with all the members having the same (fractional) charge. In the Han-Nambu (HN) scheme, the members of the colour triplet were quarks with different charges for the same flavour, the colour-averaged charge being fractional. Thus, the charge operator could be written as

$$Q=Q_0+Q_8,$$
(1)
where $`Q_0`$ is the colour-singlet charge, viz., $`\frac{2}{3}`$ for up quarks, and $`\frac{1}{3}`$ for down quarks, and $`Q_8`$ is the colour contribution to the total charge $`Q`$, which vanishes in the GZ scheme, and is given in the HN scheme by

$$Q_8=\left(\begin{array}{ccc}\frac{1}{3}& 0& 0\\ 0& \frac{1}{3}& 0\\ 0& 0& \frac{2}{3}\end{array}\right),$$
(2)
where the matrix $`Q_8`$ is in colour space. The presence of $`Q_8`$ gives rise to the charges (1,1,0) for the members of the colour triplet for each up quark, and (0,0,$`1`$) for each down quark.

At first sight it appears that it would be easy to decide between the two models in experiments like deep-inelastic scattering which use electromagnetic probes. However the first requirement in these cases is that the relevant energy should be above the threshold for excitation of colour . Below the colour threshold, only $`Q_0`$ would be effective, giving no difference between the predictions of the two models.

It was thus believed that deep-inelastic scattering experiments, which presumably had high enough energies to excite colour, would reveal the true quark charges. However, it was shown by Rajasekaran and Roy , and Pati and Salam , that in a theory in which colour is gauged , colour breaking induces mixing between the electroweak and colour gauge fields. As a result, the effective charge operator for large squared momentum-transfer takes the form

$$Q_{\mathrm{eff}}(q^2)=Q_0+Q_8\left(\frac{m_g^2}{q^2m_g^2}\right).$$
(3)
Thus for $`|q^2|>>m_g^2`$, $`Q_{\mathrm{eff}}Q_0`$. It follows that no difference between the two models would be seen asymptotically in deep-inelastic scattering (DIS), so far as quark charges are concerned. However, gluons in the HN scheme carry electric charge. Hence they would also contribute to the DIS structure functions, and if this effect is large, detecting it would signal integrally charged quarks.

It is curious that even though the longitudinal polarization vector of massive spin-one gluons goes for large $`|q|`$ as $`q^\mu /m_g`$, the gluon contribution to the structure function $`F_2`$ is finite for $`Q^2\mathrm{}`$ ; it is however suppressed.

With the advent of high energy $`e^+e^{}`$ colliding beams at PETRA there was a possibility of looking for direct production of charged-gluon jets. With the assumption that colour was excited at these energies, the additional gluon  and coloured scalar contributions  was expected to provide a test of the HN model in two-jet production experiments. In particular, the angular distribution of jets is different in the HN model as compared to the $`1+\mathrm{cos}^2\theta `$ distribution in the GZ model . This, to my knowledge, was never tested by experimentalists. The three-jet experiments, in spite of a scaling violation contribution of three-gluon production in the HN model, merely provided a limit on the gluon mass .

The problem of nonobservation of the octet charge for large $`|q^2|`$ may be avoided in two-photon experiments, first carried out at PETRA. For, in such experiments, the relevant observable is $`Q_{\mathrm{eff}}^2`$, which has a contribution $`Q_8^2`$. Hence even below colour threshold, a colour singlet projection of $`Q_8^2`$ would survive, and would help discriminating between the two charge schemes. The problem, however, was that in PETRA experiments the $`|q^2|`$ values were never close to zero, and the experiments could accommodate the GZ as well as HN models, for a range of values of $`m_g`$ .

In the case of single photon production in $`e^+e^{}2`$ jets, there would be contributions from photons radiated off final-state quarks (and also gluons in the case of HN scheme), as well as from initial state $`e^+`$ or $`e^{}`$. The contribution coming from final-state radiation would measure the sum of the squares of quark or gluon effective charges. However, since one of the photons involved is virtual, the resultant effect is not very sensitive to the model . Some experimental papers do attempt to make a comparison, without conclusive results .

It seemed clear that the best test of quark charges would be in processes where two strictly real photons were involved. However, high energy processes involving real photons are plagued with uncertainties due to large errors.

To date, an inexhaustive list of various experiments dealing with two real photons is:

1. LEP (ALEPH, DELPHI, L3 and OPAL collaborations): $`e^+e^{}\gamma \gamma +X`$ .
2. NA3 spectrometer: $`\pi ^\pm +C\gamma \gamma +X`$ (200 GeV/$`c`$) .
3. AFS: $`pp\gamma \gamma +X`$ .
4. Tevatron (CDF and D0 collaborations): $`p\overline{p}\gamma \gamma +X`$ .
5. E-706 (Fermilab): $`\pi ^\pm ,p+N(\mathrm{Be},\mathrm{Cu},\mathrm{H})\gamma \gamma +X`$ (515 GeV/$`c`$ $`\pi ^\pm `$ or 530 and 800 GeV/$`c`$ $`p`$) .
6. NA14: $`\gamma N(\mathrm{Li}^6)\gamma X`$ .

A good experimental test would be in photon-pair production in $`e^+e^{}\gamma \gamma +2`$ jets. In this case, the colour-singlet projection of the square of octet charges would contribute in the case of HN, and a quantity

$$\underset{\mathrm{flavour}}{}|Q_0Q_8Q_8_{\mathrm{colour}\mathrm{ave}.}|^2$$
(4)
would be measurable. The effective charge factor

$$\underset{\mathrm{flavour}}{}|Q^3_{\mathrm{colour}\mathrm{ave}.}|^2$$
(5)
amounts to $`11/9`$ in HN as compared to $`131/243`$ in GZ, for five flavours). Data does exist; however no comparison has been attempted.

Comparison of experimental results with theoretical predictions in HN and GZ schemes have been made in some hadronic experiments . However, one has to have some reservations about these because of the following factors. (i) Uncertainties in quark and gluon distributions. Particularly, since gluons could also contribute to DIS, even in the zeroth order in $`\alpha _{\mathrm{QCD}}`$, their distributions as determined from a fit to DIS experimental data would be different in HN and GZ schemes. (ii) Higher-order corrections in HN model are not known, and a simple “$`K`$ factor” calculated for GZ scheme has to be assumed.

The experiment which has led to a definitive statement, modulo the assumptions already mentioned, is the NA14 experiment on hard scattering of real photons . Here the prediction in HN model is larger than that in the GZ model by a factor of 2.65 for four flavours (10/3 in HN scheme as against 34/27 in GZ scheme). The HN Born contribution has been simply scaled up by the same QCD $`K`$ factor as in the GZ contribution. HN model seems disfavoured by at least two standard deviations. Fig. 1, which is taken from , shows a comparison of the data with theoretical expectations from the two schemes. Note that the gluon contribution is not included, or else the factor of 2.65 could be replaced by something larger.

Present day results from Tevatron have the potential for making more definitive statements. However, no comparison has been made.

Other experiments where some comparison could be made is radiative decays of hadrons, particularly, two-photon decays of mesons .

Theoretical topics which have not been sufficiently investigated are (i) possible phenomenon of colour oscillations  (ii) effects that might be seen at colour threshold (iii) masses and spectrum of coloured Higgs scalars, and the possibility of colour singlet bound states of these among themselves or with quarks (for a discussion on a similar problem with unconfined fractionally charged quarks, see ).

In conclusion, data from NA14 experiment on hard scattering of real photons seems to indicate that the HN model is strongly disfavoured. However, this depends on some assumptions stated earlier. $`e^+e^{}`$ experimental data from LEP could be more definitive. Some theoretical issues like those of colour oscillations, however, need to be addresses in that context.

I thank Prof. Rajasekaran for a critical reading of the manuscript.


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# I Introduction

## I Introduction

Due to the large variety of technological applications, semiconductor lasers have become the most important class of lasers . In particular, the characteristics of the resonator, which is an essential component of lasers, play a fundamental role in the performance and size of these devices. This justifies the effort paid in the improvement of resonators. One example is the recent proposal and development of the asymetric resonant cavity (ARC) as resonator for semiconductor lasers . The ARC’s are 2D resonators deformed from circular symmetry. If the deformation is weak whispering-gallery-type modes are present and produce highly directional emmission . While for large enough deformations, bow-tie-shaped resonances are responsible for the improvement in the power and directionality of the laser emmission .

Here we propose the use of a wave-guide system as an open resonator, which for certain geometries produce bow-tie-shaped resonances.

## II The System

As a model of open resonator we use a 2D wave-guide which consists of two semi-infinite leads of width $`d`$, both along the $`x`$-axis, conected to a cavity with two walls: a wall described by the function $`y(x)=d+a\xi (x)`$, and a flat wall by $`y=0`$; $`a`$ is the amplitude of the deformation and we choose $`\xi (x)=1\mathrm{cos}(2\pi x/L)`$. Note that $`\xi (x)`$ is a periodic function of $`x`$, but in this work we are using only one period of it to construct the cavity, i.e. the length of the cavity is equal to $`L`$.

We consider to be in the limit of ray optics and assume that our wave-guide system is made of a semiconductor with refractive index $`n`$. Also, we assume to have a metalic layer at $`y=0`$ and $`y=d`$ on the leads and at the $`y=0`$ boundary of the cavity, so that, light inside the wave-guide can only scape from it trough the deformed boundary of the cavity.

We start the analysis of the wave-guide system by reviewing the classical motion in the infinitely long periodic cavity . To get the dynamical panorama, we look at a Poincarè Map (PM) of the system. The dynamics can be regular, mixed, or fully chaotic depending on the geometrical parameters. In particular, for $`(d,a,L)=(1,0.305,5.55)`$ the dynamics is mixed . These are the parameters that specify the shape of the cavity in this paper.

Since we are interested in the dynamics of rays impinging on the boundary at $`y(x)=d+a\xi (x)`$ (because for certain incidence angles $`\chi `$ these rays can scape from the wave-guide) we locate the Poincarè Surface of Section (PSS) on this wall to construct the PM. Moreover, we plot the sinus of the angle of incidence of a ray to the boundary $`\mathrm{sin}(\chi )`$ and the coordinate $`x`$, instead of the traditional Birkhoff variables . In Fig. 1 we present the PM which shows three islands; one located at $`\mathrm{sin}(\chi )=0`$, and the other two centered at $`\mathrm{sin}(\chi )=0.3`$.

FIG. 1 Poincarè Map for the periodic cavity. The Poincarè Surface of Section is located at $`y(x)=d+a[1\mathrm{cos}(2\pi x/L)]`$ with $`(d,a,L)=(1,0.305,5.55)`$. Critical lines for refractive scape are shown for $`n=2`$, 2.5, 3.33, and 5.

## III Quantum Description

For a 2D wave-guide system composed of a cavity of arbitrary shape connected to two leads, say left (L) and right (R) leads, the solutions in the leads are

$$\mathrm{\Psi }^{L,R}(x,y)=\underset{m=1}{}\left[a_m^{L,R}\mathrm{exp}(ik_m^{L,R}x)+b_m^{L,R}\mathrm{exp}(ik_m^{L,R}x)\right]\varphi _m(y),$$
(1)
where $`\varphi _m(y)=\sqrt{\frac{2}{d}}\mathrm{sin}\left(\frac{m\pi y}{d}\right)`$ is the component of the wave function along the $`y`$-axis. The sum is over all the propagating modes $`M`$ supported by the leads at a given Fermi Energy $`E`$.

The quantum scattering problem is completely described by the $`S`$-matrix. It relates incoming waves to outgoing waves, $`V^{out}=\widehat{𝐒}V^{in}`$, where $`V^{in}`$ and $`V^{out}`$ stand for vectors specifying, respectively, waves coming into and going out of the cavity:

$`\widehat{𝐒}=\left(\begin{array}{cc}t\hfill & r^{}\hfill \\ r\hfill & t^{}\hfill \end{array}\right),V^{in}=\left(\begin{array}{c}a^L\hfill \\ b^R\hfill \end{array}\right),V^{out}=\left(\begin{array}{c}a^R\hfill \\ b^L\hfill \end{array}\right).`$ (8)
Here $`t`$ ,$`t^{}`$, $`r`$, and $`r^{}`$ are the transmission and reflection $`M\times M`$ matrices.

## IV The Resonance Effect

We have seen, in the case of global chaos, very good quantum-classical correspondence (QCC) between SP matrices $`(S_{n,m}^2)`$ , Transient Poincarè Maps (TPM) , and wavefunctions . But this QCC is not generally as good for typical systems with mixed phase space. Moreover, it is well known that for mixed phase space, transport quantities are not smooth functions of the energy. For example the conductance $`G=\frac{2e}{\mathrm{}^2}_n_mt_{n,m}^2`$ (where $`t_{n,m}`$ are the transmission elements of the scattering matrix $`\widehat{𝐒}`$) presents sharp resonances, see Fig. 2. These resonances in $`G`$ are due to two types of states: regular states, produced by quantum tunneling to classical forbidden regions of phase space; and hierarchical states, see  for details. Previously we have studied the QCC for energy values off resonances but for this work the relevant situation occurs for specific resonant values of energy: those related to regular states. As an example, in Fig. 3 wavefunctions $`\mathrm{\Psi }^L(x,y)^2`$ are shown for the resonance energy value of the inset of Fig. 2. In  it was shown, using Husimi distribution functions  that the maximum probability in phase space of these “bow-tie”-shaped wavefunctions is located inside the two islands (forbidden for the scattering problem) centered at $`\mathrm{sin}(\chi )=0.3`$ in the PM of Fig. 1.

So, we have seen that certain sharp dips in $`G`$ are due to “bow-tie”-shaped resonances in the cavity produced, in turn, by quantum tunneling into classical forbidden regions of phase space (resonance islands).

FIG. 2 Dimensionless conductance $`G`$ as a function of the normalized energy $`E`$. 20 propagating modes are open in this energy range. Inset: resonance energy for which the wavefunctions have their support inside the two islands centered at $`\mathrm{sin}(\chi )=0.3`$ in the PM of Fig. 1.

FIG. 3 Wavefunctions $`\mathrm{\Psi }^L(x,y)^2`$ calculated for the energy of the inset of Fig. 2 that produces a resonance in $`G`$. These “bow-tie”-shaped wavefunctions correspond to modes (a) 3, and (b) 10.

## V The Open Resonator

Now we propose to use the wave-guide system described above with an energy corresponding to a resonance in $`G`$ as an optical resonator. If we construct this device with a semiconductor having a refraction index $`n`$ (as described before), then we are able to predict directional lasing emission using the PM.

From ray optics we know that a ray trajectory inside the cavity will remain inside if the angle of insidence $`\chi `$ at which it hits the boundary (where the PSS is located) is larger than the critical angle $`\chi _c=\mathrm{sin}^1(1/n)`$. But when $`\chi <\chi _c`$ the ray escapes from the semiconductor cavity according to Snell’s law. In Fig. 1 we show some critical lines for refractive scape depending on the index of refraction $`n`$ of the semiconductor used in the construction of the wave-guide. I.e. rays impinging on the boundary below the critical line will scape from the cavity while the others will reflect.

Remember that the wavefunctions of Fig. 3 have their main support on the islads centered at $`\mathrm{sin}(\chi )=0.3`$, then for initial conditions inside these islands and following the ray-optics dynamics of such trajectories, it is possible to have an estimate of the direction and intensity of the lasing emission from the semiconductor cavity depending on the value of $`n`$. In Fig. 4 we show the patterns obtained for lasing emission using ray-optics dynamics.

We have considered four values of $`n`$ in Figs. 1 and 4. When $`n=2`$ and 2.5 the islands on which the “bow-tie” modes (see Fig. 3) have their support are below the corresponding critical lines for refractive scape. In such situations the emission is similar in intensity but different in direction because $`n`$ afects the refraction angle according to Snell’s law, see Figs. 4a-b. When $`n=3.33`$ the critical line goes trough the middle of the islands and the intensity of the emited light decreases, as well as the emission angle (see Fig. 4c). For $`n=5`$ the islands are above the critical line and light cannot scape from the cavity (see Fig. 4d). This is the behavior we expect to observe when testing different semiconductor materials with the appropiate choice of the Fermi Energy. In  it has been shown that the ray-optics prediction of lasing emission is in rather good agreement with experimental realizations, so we expect that the predictions in Fig. 4 are also valid.

Note that it is possible to excite different “bow-tie”-shaped modes by using different energy values or also by varying the geometry. For example, using the same geometrical parameters $`(d,a,L)=(1,0.305,5.55)`$ it is possible to find a wavefunction with phase space support inside the big island located at $`\mathrm{sin}(\chi )=0`$ (see Fig. 1) which will produce perpendicular lasing emission .

FIG. 4 Ray-optics prediction of lasing emission for $`n=2`$, 2.5, 3.33, and 5.

## VI Conclusions

Here we introduce a prototype of open semiconductor resonator with controlable directional emission that may be realized experimentally, and may have potential aplications in the design of microlasers and in the field of optical communication systems.


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# The Chemistry of Extragalactic Globular Clusters

## 1 The Project

Our group (P.I.: M.Kissler-Patig) started a campaign to obtain high S/N spectra of representative globular clusters in early-type galaxies. This work will form the bulk of Thomas H. Puzia’s PhD thesis and be used in combination with optical/NIR photometry in Maren Hempel’s PhD thesis.

So far, we have obtained intermediate-resolution spectra (R$``$800) of globular clusters in six early-type galaxies using the FORS2/MXU instrument attached to ESO’s VLT. These data are complemented by spectra of the host galaxy’s integrated light out to large radii (2-3 Reff). Our sample covers galaxies with various properties: from bright ($`M_B<20.5`$ mag) and faint ($`M_B>20.5`$ mag) galaxies, located in the field, in groups, and in clusters.

The aim is to study the chemical composition of globular clusters in order to understand the formation and evolution of their host galaxies. In particular, we are investigating age differences within a galaxy, are looking for differences in ages/metallicities between bright/faint and cluster/field galaxies; and are comparing the line indices of the globular clusters with the ones for the corresponding integrated light at comparable radii.

Here, we presents first results for 4 galaxies:

| Galaxy | Type | MB | $`\rho `$ | (m-M) |
| --- | --- | --- | --- | --- |
| NGC 1380 | S0 | -20.04 | 1.54 | 31.23 |
| NGC 2434 | E0 | -19.48 | 0.19 | 31.67 |
| NGC 3115 | S0 | -19.18 | 0.09 | 29.93 |
| NGC 3379 | E1 | -19.39 | 0.52 | 30.12 |

## 2 The Balmer lines

The best age indicators in the Lick system remain the Balmer lines. Among these, H$`\beta `$ is mostly used, but is super-seeded in diagnostic quality by H$`\gamma _A`$ for good data (see Puzia’s contribution in these proceedings).

The Balmer line needs to be plotted against an $`\alpha `$-element insensitive index (e.g. \[MgFe\]) otherwise any derived age is a function of the $`\alpha `$-enrichment of that particular globular cluster.

Fig. 1 shows H$`\gamma _A`$ plotted against \[MgFe\] for all studied globular clusters in the four galaxies. We compare our data to the latest SSP model grid of Maraston et al. (2002) for ages 0.8–15 Gyr and metallicities $`2.25`$ to +0.6 dex. Open symbols represent globular clusters formally younger than 3 Gyr.

## 3 The Metals

Using the Lick indices, we can probe 1) the total metallicity, best traced by \[MgFe\], a combination of Mg and two Fe indices that result in a fairly $`\alpha `$-element independent quantity; and 2) the $`\alpha `$-element ratio, well traced by comparing Fe and Mg.

The total metallicity traces the overall chemical enrichment during the star formation history of the galaxy. As expected from photometric studies, we observe in all galaxies a wide spread in metallicity ranging from \[Fe/H\]$`2.5`$ dex to solar or above.

Fig. 2 shows Mg2 plotted against $`<`$Fe$`>`$ as diagnostic for $`\alpha `$-element enrichment. The Mg2 index traces the strength of the Mg ($`\alpha `$ element) absorption feature at 5180 Å. The $`<`$Fe$`>`$ index is a composite index of two line indices Fe5335 and Fe5270 which trace the strength of strong iron lines at around 5300 Å. The iso-metallicity lines show SSP model predictions computed for three $`\alpha `$/Fe ratios (solar, $`+0.3`$ dex, $`+0.5`$ dex) assuming a 13 Gyr old stellar population (Thomas et al. 2002). The lines range from -2.25 dex (lower left) up to +0.67 dex (upper right) in metallicity. Open symbols show clusters formally younger than 3 Gyr (see Fig. 1).

## 4 The Results

AGES:

* The most striking feature of the age-metallicity plot is the fact that the globular clusters with metallicities below \[Fe/H\]$`0.8`$ span a very narrow age range around the $``$12 Gyr isochrone, i.e. comparable to Milky Way halo clusters. For metallicities above \[Fe/H\]$`0.8`$ dex, the globular clusters show a large spread in ages over several Gyr. In particular, a significant number of intermediate-age clusters appear to be present (the ratio old to intermediate varying from galaxy to galaxy). A caveat to the latter interpretation might be the influence of fluctuations of the horizontal branch morphology. However, the spectroscopic intermediate-ages seem confirmed by optical-NIR photometry (Puzia et al. 2002, Hempel et al. 2002, see also Hempel et al. in these proceedings).

METALLICITY:

* The clusters in all galaxies span a similar metallicity range as in the Milky Way. We found neither super metal-poor nor obvious super metal-rich clusters.
* In all galaxies, the metal-rich clusters (\[Fe/H\]$`>1.00`$ dex) span a wide range of \[$`\alpha `$/Fe\] ratios indicating a large variety of formation time scales within a single galaxy. Interestingly, the intermediate-age globular clusters appear to have, on average, lower \[$`\alpha `$/Fe\] values than the old clusters. While the bulk of the intermediate-age clusters has ratios close to solar, the old metal-rich clusters tend to be $`\alpha `$-element enriched, similar the diffuse stellar light of the host galaxies.


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# Updated constraints on the minimal supergravity model

## 1 Introduction

Particle physics models including supersymmetry solve a host of problems occurring in non-supersymmetric theories, and predict a variety of new matter states— the sparticles— at or around the TeV scale. The so-called minimal supergravity (mSUGRA) model (sometimes also referred to as the CMSSM) has traditionally been the most popular choice for phenomenological SUSY analyses. In mSUGRA, it is assumed that the Minimal Supersymmetric Standard Model (MSSM) is valid from the weak scale all the way up to the GUT scale $`M_{GUT}2\times 10^{16}`$ GeV, where the gauge couplings $`g_1`$ and $`g_2`$ unify. In many of the early SUGRA models, a simple choice of Kähler metric $`G_i^j`$ and gauge kinetic function $`f_{AB}`$ led to universal soft SUSY breaking scalar masses ($`m_0`$), gaugino masses ($`m_{1/2}`$) and $`A`$-terms ($`A_0`$) at $`M_{GUT}`$. This assumption of universality in the scalar sector leads to the phenomenologically required suppression of flavor violating processes that are supersymmetric in origin. In the mSUGRA model, we thus assume universal scalar masses, gaugino masses (as a consequence of assuming grand unification) and $`A`$-terms. We will also require that electroweak symmetry is broken radiatively (REWSB), allowing us to fix the magnitude, but not the sign, of the superpotential Higgs mass term $`\mu `$ so as to obtain the correct value of $`M_Z`$. Finally, we trade the bilinear soft supersymmetry breaking (SSB) parameter $`B`$ for $`\mathrm{tan}\beta `$ (the ratio of Higgs field vacuum expectation values). Thus, the parameter set

$$m_0,m_{1/2},A_0,\mathrm{tan}\beta ,\mathrm{and}sign(\mu )$$
(1)
completely determines the spectrum of supersymmetric matter and physical Higgs fields.

In our calculations, we use ISAJET v7.64  since this version includes a number of improvements in calculating the SUSY particle mass spectrum compared to v7.58 used in Ref.. Once the SUSY and Higgs masses and mixings are known, then a host of observables may be calculated, and compared against experimental measurements. The most important of these include:

* lower limits on sparticle and Higgs boson masses from new particle searches at LEP2,
* the relic density of neutralinos originating from the Big Bang,
* the branching fraction of the flavor changing decay $`bs\gamma `$,
* the value of muon anomalous magnetic moment $`a_\mu =(g2)_\mu /2`$ and
* the lower bound on the rate for the rare decay $`B_s\mu ^+\mu ^{}`$.

Our goal is to delineate the mSUGRA parameter space region consistent with all these constraints. In our analysis, we incorporate a new calculation of the neutralino relic density that has recently become available. We also present improved $`bs\gamma `$ branching fraction predictions in accord with the current ISAJET release. We discuss constraints imposed by the measurement of the muon anomalous magnetic moment. Finally, we delineate the region of mSUGRA parameter space excluded by the CDF lower limit on the branching fraction of $`B_s\mu ^+\mu ^{}`$. This constraint is important for very large $`\mathrm{tan}\beta `$’s.

Within the mSUGRA framework, the parameters $`m_0`$ and $`m_{1/2}`$ are the most important for fixing the scale of sparticle masses. The $`m_0`$-$`m_{1/2}`$ plane (for fixed values of other parameters) is convenient for a simultaneous display of these constraints, and hence, of parameter regions in accord with all experimental data.

## 2 Constraints and calculations in the mSUGRA model

Constraints from LEP2 searches

Based on negative searches for superpartners at LEP2, we require

* $`m_{\stackrel{~}{W}_1}>103.5`$ GeV and $`m_{\stackrel{~}{e}_{L,R}}>99`$ GeV provided $`m_\stackrel{~}{\mathrm{}}m_{\stackrel{~}{Z}_1}>10`$ GeV,

which is the most stringent of the slepton mass limits. The LEP2 experiments also set a limit on the SM Higgs boson mass: $`m_{H_{SM}}>114.1`$ GeV. In our mSUGRA parameter space scans, the lightest SUSY Higgs boson $`h`$ is almost always SM-like. The exception occurs when the value of $`m_A`$ becomes low at very large values of $`\mathrm{tan}\beta `$. For clarity, we show contours where

* $`m_h>114.1`$ GeV,

and will direct the reader’s attention to any regions where this bound might fail.

Neutralino relic density

Measurements of galactic rotation curves, binding of galactic clusters, and the large scale structure of the universe all point to the need for significant amounts of cold dark matter (CDM) in the universe. In addition, recent measurements of the power structure of the cosmic microwave background, and measurements of distant supernovae, point to a cold dark matter density

* $`0.1<\mathrm{\Omega }_{CDM}h^2<0.3`$.

The lightest neutralino of mSUGRA is an excellent candidate for relic CDM particles in the universe. The upper limit above represents a true constraint, while the corresponding lower limit is flexible, since there may be additional sources of CDM such as axions, or states associated with the hidden sector and/or extra dimensions.

To estimate the relic density of neutralinos in the mSUGRA model, we use the recent calculation in Ref. . In that work, all relevant neutralino annihilation and co-annihilation reactions are evaluated at tree level using the CompHEP program. The annihilation cross section times velocity is relativistically thermally averaged, which is important for obtaining the correct neutralino relic density in the vicinity of annihilations through $`s`$-channel resonances.

The $`bs\gamma `$ branching fraction

The branching fraction $`BF(bs\gamma )`$ has recently been measured by the BELLE, CLEO and ALEPH collaborations. Combining statistical and systematic errors in quadrature, these measurements give $`(3.36\pm 0.67)\times 10^4`$ (BELLE), $`(3.21\pm 0.51)\times 10^4`$ (CLEO) and $`(3.11\pm 1.07)\times 10^4`$ (ALEPH). A weighted averaging of these results yields $`BF(bs\gamma )=(3.25\pm 0.37)\times 10^4`$. The 95% CL range corresponds to $`\pm 2\sigma `$ away from the mean. To this we should add uncertainty in the theoretical evaluation, which within the SM dominantly comes from the scale uncertainty, and is about 10%. Together, these imply the bounds,

* $`2.16\times 10^4<BF(bs\gamma )<4.34\times 10^4`$.

In our study, we show contours of $`BF(bs\gamma )`$ of 2, 3, 4 and $`5\times 10^4`$.

The calculation of $`BF(bs\gamma )`$ used here is based upon the program of Ref. . In our calculations, we also implement the running $`b`$-quark mass including SUSY threshold corrections as calculated in ISAJET; these effects can be important at large values of the parameter $`\mathrm{tan}\beta `$. Our value of the SM $`bs\gamma `$ branching fraction yields $`3.4\times 10^4`$, with a scale uncertainty of 10%.

Muon anomalous magnetic moment

The muon anomalous magnetic moment $`a_\mu =(g2)_\mu /2`$ has been recently measured to high precision by the E821 experiment: $`a_\mu =11659204(7)(5)\times 10^{10}`$. The most challenging parts of the SM calculation are the hadronic light-by-light and vacuum polarization (HVP) contributions and their uncertainties. Presently these results are in dispute. In the case of the HVP the use of tau decay data can reduce the error, but the interpretation of these data is somewhat controversial. Thus, the deviation of the measurement from the SM depends on which prediction is taken into account. According to the recent analysis by Hagiwara et al.:

* $`11.5<\delta a_\mu \times 10^{10}<60.7`$.

A different assessment of the theoretical uncertainties using the procedure described in ref. gives,

* $`16.7<\delta a_\mu \times 10^{10}<49.1`$.

In view of the theoretical uncertainty, we only present contours of $`\delta a_\mu `$, as calculated using the program developed in , and leave it to the reader to decide the extent of the parameter region allowed by the data.

$`B_s\mu ^+\mu ^{}`$ decay

The branching fraction of $`B_s`$ to a pair of muons has been experimentally bounded by CDF:

* $`BF(B_s\mu ^+\mu ^{})<2.6\times 10^6`$.

A potentially important contribution to this decay is mediated by the neutral states in the Higgs sector of supersymmetric models. While this branching fraction is very small within the SM ($`BF_{SM}(B_s\mu ^+\mu ^{})3.4\times 10^9`$), the amplitude for the Higgs-mediated decay of $`B_s`$ grows as $`\mathrm{tan}^3\beta `$ within the SUSY framework, and hence can completely dominate the SM contribution if $`\mathrm{tan}\beta `$ is large. In our analysis we use the results from the last paper in Ref. to delineate the region of mSUGRA parameters excluded by the CDF upper limit on its branching fraction.

## 3 Results

To generate numerical results, in this work we use ISAJET v7.64 that includes several improvements over v7.58 which was used in Ref.. These changes lead to important differences in the figures when compared with Ref.. Notably, the boundary of the region excluded by the lack of REWSB moved to higher $`m_0`$ values and the allowed relic density region along this boundary changed, especially for the lower $`\mathrm{tan}\beta `$ values. Furthermore, for high $`\mathrm{tan}\beta `$ and $`\mu <0`$ the diagonal corridors allowed by the relic density are considerably shifted and narrowed. Finally, the area allowed by relic density near the boundary of the stau LSP region shrank at low $`\mathrm{tan}\beta `$’s.

Our first results are plotted in Fig.1. Here, we show the $`m_0vs.m_{1/2}`$ plane for $`A_0=0`$, $`\mathrm{tan}\beta =10`$ and both signs of $`\mu `$. The red shaded regions are excluded either due to a lack of REWSB (right-hand side), or a stau LSP (left-hand side). The magenta region is excluded by searches for charginos and sleptons at LEP2. The region below the red contour is excluded by LEP2 Higgs searches, since here $`m_h<114.1`$ GeV. In addition, we show regions of neutralino relic density with green contours marking $`\mathrm{\Omega }_{\stackrel{~}{Z}_1}h^2=0.1`$ (dotted), 0.3 (dashed) and 1.0 (solid). The region right to the solid green contour has $`\mathrm{\Omega }_{\stackrel{~}{Z}_1}h^2>1`$, and would thus be excluded since the age of the universe would be less than 10 billion years. There is no constraint arising from $`B_s\mu ^+\mu ^{}`$ decay at $`\mathrm{tan}\beta =10`$.

For $`\mu <0`$ the magenta contours denote values of $`BF(bs\gamma )=4`$ and $`5\times 10^4`$ and the blue contours denote values of $`\delta a_\mu =30,10,5,2`$ and $`1\times 10^{10}`$, moving from lower left to upper right. An intriguing feature of the plot is that the region with the allowed relic density in the lower left part, where neutralinos mainly annihilate via $`t`$-channel slepton exchange to lepton-anti-lepton pairs is essentially excluded by the $`m_h`$, $`bs\gamma `$ and $`\delta a_\mu `$ constraints. That leaves two allowed regions with a preferred relic density: one that runs near the stau LSP region, where $`\stackrel{~}{\tau }_1\stackrel{~}{Z}_1`$ co-annihilation effects reduce an otherwise large relic density (as pointed out by Ellis et al.). This region has a highly fine-tuned relic density, since a slight change in $`m_0`$ leads to either too light or too heavy of a $`\stackrel{~}{\tau }_1`$ mass to give $`0.1<\mathrm{\Omega }h^2<0.3`$. The other runs parallel to the REWSB excluded region for $`m_{1/2}>400`$ GeV in the “focus point” SUSY region. It occurs when the $`\stackrel{~}{Z}_1`$ has a sufficiently large higgsino component that annihilation into $`WW`$, $`ZZ`$ and $`Zh`$ pairs reduces the relic density.

For $`\mu >0`$ almost the entire plane shown is in accord with the measured branching fraction of $`bs\gamma `$. The blue contours denote values of $`\delta a_\mu =60`$, 40, 20, 10, 5, 2 and $`1\times 10^{10}`$. Constraints from $`\delta a_\mu `$ as well as from $`B_s\mu ^+\mu ^{}`$ are not relevant for this case. In this case the slepton annihilation region of relic density has a small surviving region just beyond the Higgs mass contour. For the most part, to attain a preferred value of neutralino relic density, one must again live in the stau co-annihilation region. A final possibility is to be in the slepton annihilation region, but then the value of $`m_h`$ should be slightly beyond the LEP2 limit; in this case, a Higgs boson signal may be detected in Run 2 of the Fermilab Tevatron.

We next turn to our results for $`\mathrm{tan}\beta =30`$ shown in Fig.2. The gray region in the bottom left corner of the plot is excluded because $`m_{\stackrel{~}{\tau }_1}^2<0`$. In this case, the allowed region of the relic density in the lower-left has expanded considerably owing to enhanced neutralino annihilation to $`b\overline{b}`$ and $`\tau \overline{\tau }`$ at large $`\mathrm{tan}\beta `$. Both lighter values of $`m_{\stackrel{~}{\tau }_1}`$ and $`m_{\stackrel{~}{b}_1}`$ and also large $`\tau `$ and $`b`$ Yukawa couplings at large $`\mathrm{tan}\beta `$ enhance these $`t`$-channel annihilation rates through virtual staus and sbottoms. Unfortunately, for $`\mu <0`$ the region excluded by $`BF(bs\gamma )`$ and by $`\delta a_\mu `$ also expands, and most of the cosmologically preferred region is again ruled out. As before, we are left with the corridors of stau co-annihilation and an enlarged focus point scenario as the only surviving regions.

For $`\mu >0`$ the magenta contours of $`BF(bs\gamma )`$ correspond to $`2`$ and $`3\times 10^4`$. Thus, the lower left region is excluded since it leads to too low a value of $`BF(bs\gamma )`$. The $`\delta a_\mu `$ contours begin from lower left with $`60\times 10^{10}`$, then proceed to 40, 20, 10, 5, 2 and $`1\times 10^{10}`$. A fraction of the slepton annihilation region of relic density is excluded also by too large a value of $`\delta a_\mu `$. Of course, a reasonable relic density may also be achieved in the stau co-annihilation and focus point regions of parameter space.

Next, we turn to Fig.3 where we examine the mSUGRA parameter plane for very large values of $`\mathrm{tan}\beta =45`$ and $`\mu <0`$. The gray and red regions are as in previous figures. The blue region is excluded because $`m_A^2<0`$, denoting again a lack of appropriate REWSB. The inner and outer red dashed lines are contours of $`m_A=100`$ and $`m_A=200`$ GeV, respectively. The former is roughly the lower bound on $`m_A`$ from LEP experiments. In between these contours, $`h`$ is not quite SM-like, and the mass bound from LEP may be somewhat lower than $`m_h=114.1`$ GeV shown by the solid red contour, but outside the 200 GeV contour this bound should be valid. Much of the lower-left region is excluded by too high a value of $`BF(bs\gamma )`$ and too low a value of $`\delta a_\mu `$. In addition, in this plane, the experimental limit on $`B_s\mu ^+\mu ^{}`$ enters the lower-left, where values exceeding $`26\times 10^7`$ are obtained. It seems that in the upper region which is favored by the $`bs\gamma `$ constraint, detection of $`B_s\mu ^+\mu ^{}`$ at the Tevatron will be quite challenging.

In this figure, the relic density regions are qualitatively different from the lower $`\mathrm{tan}\beta `$ plots. A long diagonal strip running from lower-left to upper-right occurs because in this region, neutralinos annihilate very efficiently through $`s`$-channel $`A`$ and $`H`$ Higgs graphs, where the total Higgs widths are very large due to the large $`b`$ and $`\tau `$ Yukawa couplings for the high value of $`\mathrm{tan}\beta `$ in this plot. Adjacent to this region allowed regions where neutralino annihilation is still dominated by the $`s`$-channel Higgs graphs, but in this case the annihilation is somewhat off-resonance. The $`A`$ and $`H`$ widths are so large that even if $`|2m_{\stackrel{~}{Z}_1}m_{A(H)}|`$ is relatively large, efficient annihilation can still take place. (An improvement of the Higgs widths is adopted for these plots compared to Ref..)

For the case of $`\mu >0`$, we show the mSUGRA parameter space plane for $`\mathrm{tan}\beta =52`$. In this plane, the relic density annihilation corridor occurs near the boundary of the excluded $`\stackrel{~}{\tau }_1`$ LSP region. The width of the $`A`$ and $`H`$ Higgs scalars is very wide, so efficient $`s`$-channel annihilation through the Higgs poles can occur throughout much of the allowed parameter space. But the annihilation is not overly efficient due to the large breadth of the Higgs resonances. In much of the region with $`m_{1/2}<400`$ GeV, the value of $`BF(bs\gamma )`$ is below $`2\times 10^4`$, so that some of the lower allowed relic density region where annihilation occurs through $`t`$-channel stau exchange is excluded. In contrast, the value of $`\delta a_\mu `$ is in the range of $`1040\times 10^{10}`$, which is in accord with the E821 measurement. The value of $`m_h`$ is almost always above 114.1 GeV, and the $`BF(B_s\mu ^+\mu ^{})`$ is always below $`10^7`$, and could (if at all) be detected with several years of main injector operation.

In conclusion, we have presented updated constraints on the mSUGRA model from i.) the LEP2 constraints on sparticle and Higgs boson masses, ii.) the neutralino relic density $`\mathrm{\Omega }_{\stackrel{~}{Z}_1}h^2`$, iii.) the branching fraction $`BF(bs\gamma )`$, iv.) the muon anomalous magnetic moment $`a_\mu `$ and v.) the leptonic decay $`B_s\mu ^+\mu ^{}`$. Putting all five constraints together, we find favored regions of parameter space which may be categorized by the mechanism for annihilating relic neutralinos in the early universe:

* 1. annihilation through $`t`$-channel slepton exchange (low $`m_0`$ and $`m_{1/2}`$),
* 2. the stau co-annihilation region (very low $`m_0`$ but large $`m_{1/2}`$),
* 3. the focus point region (large $`m_0`$ but low to intermediate $`m_{1/2}`$) and
* 4. the flanks of the neutralino $`s`$-channel annihilation via $`A`$ and $`H`$ corridor at large $`\mathrm{tan}\beta `$ when $`\mathrm{\Gamma }_A`$ and $`\mathrm{\Gamma }_H`$ are very large.

To summarize, we find the five constraints considered in this work to be highly restrictive. Together, they rule out large regions of parameter space of the mSUGRA model, including much of the region where $`t`$-channel slepton annihilation of neutralinos occurs in the early universe. The surviving regions 1.-4. have distinct characteristics of their SUSY spectrum, and should lead to distinctive SUSY signatures at colliders.

## Acknowledgments

This research was supported in part by the U.S. Department of Energy under contracts number DE-FG02-97ER41022 and DE-FG03-94ER40833, and by Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP).


text:
# Finite-Size Effects in a Supercooled Liquid.

## I Introduction.

The theoretical understanding of the glass transition is still far from being complete. During the last years, though, considerable progress has been made both from the analytical and the numerical side (see, e.g., reference Debenedetti and Stillinger (2001)). In this paper, we will dwell on some questions that arise within the framework of the energy landscape approach Goldstein (1969); Stillinger (1995). The beauty of this viewpoint lies in the fact that the complicated nature of many-particle effects in structurally disordered matter can be formulated in a pictorial way by considering the topology of the high-dimensional landscape of the total potential energy $`V(x)`$ (PEL). (Here, $`x=(𝐱_1,\mathrm{},𝐱_N)`$ denotes the set of positions of all $`N`$ particles in the system.) Of special importance at low temperatures are the local minima of the PEL. They are extremely numerous, so that a statistical treatment of their properties is appropriate. From the statistics of their energies and vibrational characteristics, the whole thermodynamics can be derived at low-enough temperatures and constant volume Stillinger and Weber (1982). Recently, generalizations to the constant-pressure situation and non-equilibrium conditions have been numerically implemented Mossa et al. (2002a). The critical temperature $`T_c`$ of mode-coupling theory Götze and Sjogren (1992) serves as a good indicator for the temperature range where the PEL standpoint is appropriate: Below $`T_c`$ (the so-called landscape-dominated regime), it is generally accepted that the temporal evolution of a system happens through activated jumps among PEL minima. Between $`T_c`$ and $`2T_c`$ (the landscape-influenced regime), properties of minima are generally deemed to be relevant for the thermodynamic description, whereas they are expected to be irrelevant for dynamics there. This has been concluded from the analysis of higher-order stationary points, which start to be populated above $`T_c`$ Angelani et al. (2000); Broderix et al. (2000). In two recent publications, however, we have provided evidence that this notion should be revised: From a detailed analysis of relaxation dynamics, we have found that the picture of activated hopping is correct even above $`T_c`$ Doliwa and Heuer (2002a, b). In any event, above $`2T_c`$, the PEL description breaks down, due to the fact that the system no longer occupies the well-behaved vicinity of minima.

In our recent publications, we elucidated the implications of local PEL topology for dynamics Büchner and Heuer (2000); Doliwa and Heuer (2002a, b). As conjectured by Stillinger Stillinger (1995), we found that the PEL is composed of groups of correlated minima, called metabasins (MB). Diffusional motion then turned out to consist of random jumps among metabasins, where the jump times could be related to the depths of metabasins. These conclusions were drawn from computational studies of fairly small model systems of Lennard-Jones type (see reference Doliwa and Heuer (2002b) for details about the systems). The motivation for using systems as small as $`N=65`$ particles is two-fold: Firstly, much longer time scales are accessible in the simulations, and more sophisticated PEL analyses become possible Doliwa and Heuer (2002b). Secondly, the global PEL viewpoint implies that the hypersurface of the potential energy is the more complex the larger the system is. On the other hand, generally, relaxation processes are spatially localized. This implies that PEL complexity in large systems originates mainly from a superposition of independently relaxing subsystems. In contrast, the local relaxation dynamics itself is governed by a non-trivial kind of PEL complexity which, however, is essentially identical in all the subsystems. Since we are interested in the physics behind local relaxation, we concentrate on very small systems. We thus avoid to consider many relaxing subsystems in parallel which would average out the information about a single one.

In the present paper, we shall provide evidence that the results obtained in reference Doliwa and Heuer (2002a, b) for a small binary Lennard-Jones system of 65 particles (BMLJ65) are also relevant for the bulk behavior. Systems of $`N=130,260`$, and 1000 particles will be investigated and compared to the BMLJ65. Especially, we shall demonstrate that the BMLJ130 behaves essentially like two non-interacting BMLJ65s.

We shall study static quantities in section II and turn to dynamic observables in section III. Further aspects of our results are discussed in section IV.

## II Static properties.

### Pair-correlation function.

A first test for finite-size effects is to compare the distributions of interparticle distances $`g_{\alpha \beta }(r)`$ for different system sizes. Here, we restrict ourselves to the pair-correlation function of the $`A`$-particles, $`g_{AA}(r)`$, see figure 1.

Within a simulation box of width $`L_N`$, we may only calculate $`g_{\alpha \beta }(r)`$ for $`r<L_N/2`$. For larger values of $`r`$, periodic images of the simulation box must be used. We find that $`g_{AA}(r)`$ of the BMLJ65 is identical to the one of the BMLJ1000 for $`r<L_{65}/2`$. At larger distances, deviations from the bulk distribution can be seen. This is plausible, since the simple duplication of the simulation box can surely not reproduce all details of the long-ranged bulk correlations. Nevertheless, the oscillations corresponding to higher-order neighbor shells in the BMLJ1000 are also present in the duplicated BMLJ65. Similarly, the BMLJ130 matches the BMLJ1000 $`g_{AA}(r)`$ for $`r<L_{130}/2`$, whereas deviations for larger $`r`$ already seem to be negligibly small.

### Statistics of minima.

It is an important question how the properties of the PEL are affected by changes in system size. The most prominent characteristics of a PEL minimum are its energy $`ϵ`$ and vibrational partition function $`T^{(3N3)/2}Y`$. The latter can be calculated within harmonic approximation,

$$Y=\underset{\nu }{}\left(\frac{2\pi }{\lambda _\nu }\right)^{1/2},$$
(1)
where the $`\lambda _\nu `$ are the eigenvalues of the hessian matrix in the minimum. Since the number of PEL minima is extremely large, a statistical treatment is needed. As a starting point, we analyze the mean energy of minima at temperature $`T`$, $`ϵ(T;N)`$, and their variance $`\sigma ^2(T;N)`$. For systems composed of independent subsystems, $`ϵ(T;N)/N`$ and $`\sigma ^2(T;N)/N`$ do not depend on system size.

In figure 2, these quantities are shown for $`N=65`$ and $`N=130`$, plus some data points of $`N=260`$ and $`N=1000`$. Concerning the mean energies, we find a good overall agreement of different system sizes. The maximum difference is about $`1\%`$ between the BMLJ65 and the BMLJ260 at $`T=\mathrm{}`$. In the landscape-influenced regime below $`T=2T_c`$, data for different $`N`$ show a perfect match. A similar conclusion can be drawn from figure 2(b), where we see $`\sigma ^2(T)/N`$. A systematically larger value is found for the BMLJ65 at high temperatures, as compared to the BMLJ130. For $`T2T_c`$, the difference is less than $`20\%`$, but more precise statements are prohibited by the statistical uncertainty of $`\sigma ^2(T)/N`$ below $`T=0.6`$. Thus, small but significant finite-size effects can be observed in this quantity.

We shortly comment on the deviations from the gaussian prediction at $`T<0.5`$, as seen in figure 2(a),(b). A possible explanation is that our simulations below $`T=0.5`$ were too short to sample the PEL thoroughly at the lowest energies. In view of the total simulation times for the BMLJ65 ($`T=0.4`$: $`50\tau _\alpha `$, $`T=0.435`$: $`520\tau _\alpha `$, $`T=0.45`$: $`850\tau _\alpha `$) this is strong statement. We currently study if significantly longer simulations could alter the situation in figure 2, $`T<0.5`$.

### Total number of minima.

The overall statistics of PEL minima can be described to a large degree by the number density of their energies, $`G(ϵ)`$. Formally, it can be written as $`G(ϵ)=_i\delta (ϵϵ_i)`$, whereas in practice, some coarse graining of energy is introduced. In computer simulations, $`G(ϵ)`$ was found to be approximately gaussian for several model systems Büchner and Heuer (1999); Sciortino et al. (2000); Starr et al. (2001); La Nave et al. (2002),

$$G(ϵ)=\frac{1}{\sqrt{2\pi \sigma ^2}}\mathrm{exp}\left(\alpha N\frac{1}{2\sigma ^2}(ϵϵ_0)^2\right),ϵ>ϵ_{\text{min}}.$$
(2)
The lower cutoff energy $`ϵ_{\text{min}}`$ takes into account that the ideal gaussian cannot extend to arbitrarily low energies. A cutoff at the high-energetic tail of $`G(ϵ)`$ is not needed, due to the small Boltzmann weight of these minima. For huge systems, which, to a good approximation, are composed of many independent subsystems, the gaussianity of $`G(ϵ)`$ is an immediate consequence of the central limit theorem. However, as discussed in reference Heuer and Büchner (2000), a large degree of gaussianity must already be present in the subsystems that are considered elementary.

The modification of the gaussian by the cutoff $`ϵ_{\text{min}}`$ is normally small, so that one finds $`N_0(N)dϵG(ϵ)e^{\alpha N}`$. Thus, the so-called growth parameter $`\alpha `$ describes how the total number of minima, $`N_0(N)`$, evolves with system size. We will now calculate $`N_0(65)`$ and $`N_0(130)`$. To this end, we apply a practical method which has recently been discussed in the literature Sciortino et al. (1999); Mossa et al. (2002b); Sastry (2001); Scala et al. (2000); Sastry (2000). The main step is to compute the partition function $`Z(T)`$ or, equivalently, the entropy via thermodynamic integration from a known reference state. The knowledge of $`Z(T)`$ can be used to compute $`G(ϵ)`$ as follows Sastry (2000). Using the harmonic approximation of basin vibrations, the population of minimum $`i`$ at temperature $`T`$ is

$$p_i=\frac{1}{Z(T)}T^{(3N3)/2}Y_ie^{\beta ϵ_i},$$
(3)
where $`\beta =1/k_\mathrm{B}T`$. By computing the expectation value $`_iY_i^1e^{\beta ϵ_i}\delta (ϵϵ_i)p_i`$, we can then extract $`G(ϵ)`$,

$$\mathrm{ln}G(ϵ^{})=\mathrm{ln}\delta (ϵϵ^{})Y^1e^{\beta ϵ}+\mathrm{ln}Z(T)\frac{3N3}{2}\mathrm{ln}T.$$
(4)
In the above cited works, starting from a high-temperature ($`T_0`$), low-density state ($`N/V_0`$), one compressed the system until the required volume $`V_1`$ of the supercooled liquid was reached. Subsequently, one cooled along the isochore down to $`T=T_1`$. The procedure is depicted in figure 3(b),inset. The partition function at the state point $`(V_1,T_1)`$ follows with the help of the relations

$$\left(\frac{\mathrm{ln}Z}{V}\right)_T=\beta p(V,T),\text{ and }\left(\frac{\mathrm{ln}Z}{\beta }\right)_V=E(V,T),$$

$$\mathrm{ln}Z(V_1,T_1)=\mathrm{ln}Z(V_0,T_0)+\beta _0\underset{V_0}{\overset{V_1}{}}dVp(V,T_0)\underset{\beta _0}{\overset{\beta _1}{}}d\beta E(V_1,T).$$
(5)
In the limit $`V_0\mathrm{}`$, we may replace $`\mathrm{ln}Z(V_0,T_0)`$ in equation 5 by the ideal gas term. Note that we write $`E(V,T)`$ instead of $`V`$ for potential energy here, in order to avoid confusion with volume.

After measuring the pressure-volume dependence at $`T_0=5`$ (see figure 3(a)), we evaluate the first integral of equation 5. This yields the partition function at $`T_0=5`$, $`\rho _1=1.2`$,

$`\mathrm{ln}Z(V_1,T_0)`$ $`=108.3\pm 0.7\text{(BMLJ65)},`$ (6)
$`\mathrm{ln}Z(V_1,T_0)`$ $`=218.5\pm 2.5\text{(BMLJ130)}.`$ (7)
Considering the second integral of equation 5, we need the mean potential energy $`E(T)`$ along the isochore $`V=V_1`$ (see figure 3(b)). As is done in the literature, we use the functional form $`E(T)=a+bT^{3/5}`$ to parametrize our data. For the theoretical background of this form, see reference Rosenfeld and Tarazona (1998). From the two fit parameters

$`a=361.4\pm 0.3,`$ $`b=171.5\pm 0.3\text{(BMLJ65)},`$ (8)
$`a=718.8\pm 0.8,`$ $`b=341.2\pm 0.9\text{(BMLJ130)},`$ (9)
one can then calculate the second integral in equation 5.

We now use these results to calculate $`N_0`$, via equation 4. The expectation value in equation 4 is extracted from regular simulations. Thus, as long as the harmonic approximation holds, we are able to calculate the absolute value of $`G(ϵ)`$. For the BMLJ65 and BMLJ130 systems, $`G(ϵ)`$ is shown in figure 3(c) and (d), respectively. At temperatures $`T0.6`$, all points for $`G(ϵ)`$ fall nicely onto a master curve, whereas for $`T0.8`$ the normalization does not work anymore, see reference Sastry (2000). We then fit gaussians to the data at $`T0.6`$, yielding the complete $`G(ϵ)`$. The number of minima can now be calculated from $`N_0=dϵG(ϵ)`$,

$`N_0`$ $`=10^{22.4\pm 0.8}\text{(BMLJ65)},`$ (10)
$`N_0`$ $`=10^{45.0\pm 2.5}\text{(BMLJ130)}.`$ (11)
Hence, within error bars, we find $`N_0(130)=(N_0(65))^2`$, which is the trivial scaling behavior expected from combinations of non-interacting subsystems.

We finally note that we reached the same conclusion after calculating the configurational entropy $`S_c(T;N)`$ as described in reference Sciortino et al. (1999) (data not shown here): $`S_c(T;N)/N`$ turns out to be identical for $`N=65`$ and $`N=130`$.

## III Dynamic properties.

We now discuss the influence of system size on dynamics. Here, more drastic effects than in static quantities are to be expected: In fact, it is the most puzzling feature of the glass transition itself that a dramatic slowdown of molecular motion cannot be traced back to changes in static quantities easily.

### Diffusion coefficients.

We start with the long-time diffusion coefficient $`D_N(T)`$, defined by the Einstein relation. One finds that the $`D_N(T)`$ for $`N=65,130`$, and $`1000`$ differ only very little. In figure 4, we see $`D_{65}/D_{1000}`$ and $`D_{65}/D_{130}`$ as functions of temperature. The difference between $`D_{65}`$ and $`D_{1000}`$ -which we assume to be identical to the bulk diffusion coefficient- is twenty percent or less above $`T_c`$. Since data for $`D_{1000}`$ are not available below $`T_c`$, no such comparison is possible there. As reflected by $`D_{65}/D_{130}`$, these differences are already present between $`N=65`$ and $`N=130`$. Below $`T_c`$, however, the BMLJ65 seems to become slightly faster than the BMLJ130. However, since error bars are large for the two low-temperature data points, it is hard to judge whether this is a systematic effect that further increases upon cooling. In any event, in the temperature range studied, the overall variation of $`D_N(T)`$ is more than three orders of magnitude. Regarding the small deviation of the BMLJ65 relative to the BMLJ1000, finite-size effects in the long-time diffusion should be jugded small. As a comparison, major changes happen when going to $`N=40`$, where we find $`D_{40}(0.5)/D_{1000}(0.5)0.1`$.

### Waiting-time distributions.

As a more refined comparison of dynamics between different system sizes, we consider the distributions of MB lifetimes (waiting times), see references Doliwa and Heuer (2002a); Denny et al. (2002). A detailed description of MBs and their properties can be found in reference Doliwa and Heuer (2002b). Here we briefly describe how MB lifetimes can be obtained from a given simulation run. Based on an equidistant time series of minima, we resolve the elementary transitions between minima by further minimizations, accompanied by temporal interval bisection. From the series of configurations thus obtained, we determine the time intervals of correlated back-and-forth jumps within groups of a few minima, which are identified with the MB lifetimes Büchner and Heuer (2000); Doliwa and Heuer (2002b). In this way, we are able to detect MB durations ranging from one MD step to many millions of them. At some arbitrary time of a simulation run, the probability to be in a MB of length $`\tau `$ is $`p(\tau )=_i\tau _i\delta (\tau \tau _i)/_i\tau _i`$, where the $`\tau _i`$’s are the lifetimes found in the run. (Since the MB residence times span more than six orders of magnitude, our numerical computations will involve the distributions $`p(\mathrm{log}\tau )=p(\tau )\tau \mathrm{ln}10`$ rather than $`p(\tau )`$.) The temperature dependence of $`p(\tau )`$ will be suppressed for notational convenience.

Guided by the idea that a BMLJ130 system is basically a duplication of two independent BMLJ65s, we may ask whether the distribution $`p_{130}(\tau )`$ of the larger system can be reproduced by some sort of convolution of the distribution $`p_{65}(\tau )`$ of the smaller one. (For a combined system, MB lifetimes are defined as the periods where neither of the subsystems relaxes.) Indeed, after a lengthy calculation one finds for the duplicated system,

$$p_{6565}(\tau )=\frac{\mathrm{d}}{\mathrm{d}\tau }\underset{\tau }{\overset{\mathrm{}}{}}d\tau ^{}p_{65}(\tau ^{})\underset{\tau }{\overset{\mathrm{}}{}}d\tau ^{\prime \prime }p_{65}(\tau ^{\prime \prime })\left(1\frac{\tau ^2}{\tau ^{}\tau ^{\prime \prime }}\right).$$
(12)
This expression can be simplified and, upon using $`p(\mathrm{log}\tau )`$, it reads

$$p_{6565}(\mathrm{log}\tau )=2p_{65}(\mathrm{log}\tau )I(\tau )+2\tau \stackrel{~}{I}(\tau )\left(\stackrel{~}{I}(\tau )\tau \mathrm{ln}10p_{65}(\mathrm{log}\tau )\right),$$
(13)
where

$$I(\tau )=\underset{\tau }{\overset{\mathrm{}}{}}d\tau ^{}p(\tau ^{})\text{ and }\stackrel{~}{I}(\tau )=\underset{\tau }{\overset{\mathrm{}}{}}d\tau ^{}p(\tau ^{})/\tau ^{}.$$

In figure 6, we show $`p_{65}(\mathrm{log}\tau )`$, together with $`p_{130}(\mathrm{log}\tau )`$ at the temperature $`T=0.5`$. The distribution resulting from the duplication, $`p_{6565}(\mathrm{log}\tau )`$, is also given in the figure. It agrees nicely with $`p_{130}`$. Thus, on the refined level of waiting-time distributions, we find further evidence that larger systems basically behave as consisting of non-interacting BMLJ65-type building blocks. Essentially, $`p_{130}`$ is shifted to the left with respect to $`p_{65}`$. This is no wonder, because time intervals where both independent systems are inert, are generally shorter than the waiting times of a single system. For instance, the mean waiting times obey the relation

$$\tau _{65}=2\tau _{6565},$$

which can be shown with the help of equation 12.

### Metabasin depths.

As discussed above, metabasins have turned out as the relevant structures in the PEL for describing the slowdown of molecular motion in supercooled liquids. In a recent paper, we reported on how the average lifetimes $`\tau |ϵ_{\text{MB}};T`$ of MBs depend on their energies $`ϵ_{\text{MB}}`$ Doliwa and Heuer (2002b). At some fixed $`ϵ_{\text{MB}}`$, we found that $`\tau |ϵ_{\text{MB}};T`$ is Arrhenius-like below $`T2T_c`$, leading to the parametrization

$$\tau |ϵ_{\text{MB}};T=\tau _0(ϵ_{\text{MB}})e^{\beta E_{\text{app}}(ϵ_{\text{MB}})}.$$
(14)
The apparent activation energy $`E_{\text{app}}(ϵ_{\text{MB}})`$ shows a strong dependence on $`ϵ_{\text{MB}}`$, as soon as one drops below $`ϵ_{\text{MB}}/N4.5`$. This can be seen in figure 6 where $`E_{\text{app}}(ϵ_{\text{MB}})`$ versus $`ϵ_{\text{MB}}/N`$ is depicted both for $`N=65`$ and $`N=130`$. Naturally, it is tempting to relate $`E_{\text{app}}(ϵ_{\text{MB}})`$ to PEL structure. By a detailed investigation of escape paths and the barriers that are overcome when escaping the MBs, we were able to reproduce $`E_{\text{app}}(ϵ)`$ from the local topology of MBs. Hence, we were able to prove that the effective depth $`E_{\text{app}}`$ of a MB, derived from dynamics, directly corresponds to the real depth of that MB as given by the energy barriers around it. Moreover, escaping from deep MBs could be shown to involve actived jumps even above $`T_c`$. What concerns the prefactor $`\tau _0(ϵ_{\text{MB}})`$ of equation 14, no such understanding in terms of PEL structure has been possible. Fortunately, however, $`\tau _0(ϵ_{\text{MB}})`$ turned out to have a weak dependence on MB energy. Thus, it may in good conscience be set to a constant Doliwa and Heuer (2002b).

Here we concentrate on the dependence of $`E_{\text{app}}(ϵ_{\text{MB}})`$ on system size. As can be seen from figure 6, the activation energies $`E_{\text{app}}(ϵ_{\text{MB}}/N)`$ of $`N=65`$ and $`N=130`$ are quite close. However, the $`N=130`$ data for $`ϵ_{\text{MB}}/N<4.5`$ show the tendency to fall slightly below that of $`N=65`$. We shall show that this trend can be understood again in terms of a simple duplication of a BMLJ65. Hence, we are interested in the combination of two independent BMLJ65 systems. Consider a MB of energy $`ϵ_{\text{MB}}=ϵ_{\text{MB}}^{\text{(1)}}+ϵ_{\text{MB}}^{\text{(2)}}`$ in the combined system. Then assume that its average lifetime can be expressed through the lifetimes of both subsystems, i.e.

$$\frac{1}{\tau |ϵ_{\text{MB}}^{\text{(1)}},ϵ_{\text{MB}}^{\text{(2)}}_{6565}}=\frac{1}{\tau |ϵ_{\text{MB}}^{\text{(1)}}_{65}}+\frac{1}{\tau |ϵ_{\text{MB}}^{\text{(2)}}_{65}}.$$
(15)
Averaging over the population of $`ϵ_{\text{MB}}^{\text{(1)}}`$ and $`ϵ_{\text{MB}}^{\text{(2)}}`$ at constant $`ϵ_{\text{MB}}`$ then yields $`\tau |ϵ_{\text{MB}};T`$ for the combined system. The mean lifetimes produced in this way are again Arrhenius-like below $`2T_c`$ (data not shown here). Thus, data can again be fitted by a function of the form of equation 14, yielding $`E_{\text{app}}(ϵ_{\text{MB}})`$ for the duplicated BMLJ65. The result is shown in figure 6 for $`T=0.5`$. Again, the artificial BMLJ65 duplication reproduces the observations for the real system of $`N=130`$ particles.

Finally, we note that further duplication of the BMLJ65 leads to an interesting result: The activation energies from duplication nearly fall on top of each other for $`N130`$ and $`ϵ_{\text{MB}}/N>4.6`$. The example of sixteen non-interacting BMLJ65s ($`N=1040`$) is shown in figure 6.

## IV Discussion and Conclusions.

For several static and dynamic observables, we have verified the factorization property

$$\text{ BMLJ130 }\text{ BMLJ65 }\text{ BMLJ65 }.$$

The BMLJ130, in turn, seems to be close to bulk behavior. Some of the results presented here have already been obtained in earlier work for a very similar Lennard-Jones type system Büchner and Heuer (1999). Again, the conclusion can be drawn that binary Lennard-Jones systems of ca. 60 particles are a very good compromise between the desired smallness needed for our PEL investigations and the required absence of large finite-size related artifacts. In this connection, the simulation results of Yamamoto and Kim on the standard binary soft sphere mixture are of interest Kim and Yamamoto (2000). Comparing systems of $`N=108`$ and $`1000`$ particles above $`T_c`$, the authors found the small system to be up to an order of magnitude slower than the large one. These findings suggest a fundamental difference between the Lennard-Jones and soft-sphere types of relaxation dynamics. Evidently, soft spheres exibit a larger length scale of cooperative motion than do Lennard-Jones systems. A possible explanation can be found in reference Büchner and Heuer (1999).

It is known from the study of cooperative length scales that they increase with decreasing temperature Donati et al. (1999); Bennemann et al. (1999); Doliwa and Heuer (2000). Thus, at some lower temperatures one might expect that 65 particles are no longer enough and finite-size effects become visible. For a similar Lennard-Jones system it has been shown that finite-size effects are reflected by the fact that the bottom of the PEL is frequently probed Büchner and Heuer (1999). In the present case still longer simulations at lower temperatures have to be performed to check whether also for $`N=65`$ the PEL bottom can be reached. Then the interesting question arises whether or not differences to the $`N=130`$ system become visible.

The results presented in this paper suggest that the essential physics of the supercooled BMLJ is already contained in the system of $`N=65`$ particles. For the temperatures under investigation here, extended structures of collectively moving particles (’strings’) have been reported in large systems Donati et al. (1998). It is important to know whether these structures are still present in the small systems considered here. Work along this line is in progress.

## Acknowledgements.

We are pleased to thank H.W. Spiess for valuable discussions. This work has been supported by the DFG, Sonderforschungsbereich 262.

## References.


text:
# On the spatial structure of anomalously localised states in disordered conductors

On leave from: \]Institut für Physik, Technische Universität, D-09107 Chemnitz, Germany

## Abstract

We study the spatial structure of wave functions with exceptionally high local amplitudes in the Anderson model of localisation. By means of exact diagonalisations of finite systems, we obtain and analyse images of these wave functions: we compare the spatial structure of such anomalously localised states in quasi-one-dimensional samples to that in three-dimensional samples. In both cases the average wave-function intensity exhibits a very narrow peak. The background intensity, however, is found to be very different in these two cases: in three dimensions, it is constant, independent of the distance to the localisation centre (as expected for extended states). In quasi-one dimensional samples, on the other hand, it is redistributed towards the localisation centre and approaches a characteristic form predicted in \[A. D. Mirlin, Phys. Rep. 326, 249 (2000)\].

Statistical properties of physical observables in disordered electronic quantum systems have attracted considerable interest in the last decade. In such systems, quantum interference may cause the (non-interacting) conduction electrons to localiseAnd58 . In three dimensions (3D), this Anderson localisation occurs when the disorder strength exceeds a critical value. Beyond this value (which depends on the Fermi energy and the symmetries of the system), electron wave functions are confined to a limited spatial region of the sample.

In the metallic regime, on the contrary, wave functions typically spread over the whole sample, and they contribute to electron transport. However, some wave functions show localised behaviour even in this weakly disordered regime (these are so-called anomalously localised states, abbreviated as ALS in the following). This leads to a non-zero, albeit small, probability of observing exceptionally large wave-function amplitudes, often in the form of a log-normal distribution function of wave-function intensities. ALS in electronic conductors have been studied intensively in recent years, using the so-called diffusive non-linear sigma model (DNLSM)MirF93 ; FyoM94 ; FalE95b . An overview of the main results and predictions based on the DNLSM is given in Ref. Mir00, . Moreover, possible complications due to non-diffusive, so-called ballistic effects on length scales smaller than the mean free path are discussed. As was pointed out in Ref. SmoA97, , these may modify the predictions of the DNLSM (see also Refs. BlaMM01,  and UskMS01, ). ALS are expected to occur in lower-dimensional disordered systems, too, when the disorder is weak.

These interesting analytical results have motivated a number of numerical studies: in Ref. MulMMS97, , for example, log-normal statistics of wave-function amplitudes in two-dimensional (2D) conductors near the delocalisation-localisation transition was observed. In Ref. UskMRS00,  it was confirmed that as the disorder is reduced to reach the weakly disordered regime, the distribution function remains log-normal. It has, however, not been possible to resolve a discrepancy (between the DNLSMEfe83 ; Mir00  and the so-called direct optimal fluctuation methodSmoA97 ) in the prediction of the parameters of this distribution. As far as the numerical work is concerned, the situation may be summarised as follows. While it can be concluded that the DNLSM appears to be adequate in the quasi-one-dimensional (Q1D) Anderson model under certain conditionsUskMRS00 ; UskMS01 , the DNLSM may not correctly describe ALS in two and three dimensionsUskMS01 ; Nik02 , at least for the parameter values considered in these studies. On the other hand, it was found recently OssKG02  that the DNLSM appears to describe the statistics of rare events adequately in a 2D kicked rotor.

A reason for the possible failure of the DNLSM to describe ALS in the 3D Anderson model may be the importance of short length scalesSmoA97 ; BlaMM01 , see also Ref. UskMS01, . The DNLSM is based on the semiclassical picture of a diffusing electron in a random potential. In this picture the smallest relevant length scale is the electronic mean free path $`\mathrm{}`$ between elastic collisions. Therefore the DNLSM cannot describe situations where length scales smaller than $`\mathrm{}`$ are important. Such a situation could occur if ALS were created not through semiclassical diffusion, but through local potential wells trapping the electronsSmoA97 ; new . The mechanism giving rise to ALS is expectedSmoA97 ; Mir97 ; Mir00  to crucially depend on the dimensionality of the system and may determine their spatial structure.

Finally, within the DNLSM, it is possible to obtain the wave-function statistics directly in Q1D, using a transfer-matrix technique. In 2D and 3D, on the other hand, a further saddle-point approximation is necessary.

Given this situation, further numerical work describing ALS in disordered conductors is called for. In the following, we describe results of exact diagonalisations of finite Anderson models of localisation, yielding averages of the spatial structure of ALS. While this spatial structure has been studied in detail within the DNLSM Mir97 ; Mir00 , numerical imaging of wave functions with anomalously amplitudes has not yet been performed Nik01 .

The Anderson model is defined by the tight-binding Hamiltonian

$$\widehat{H}=\underset{𝐫,𝐫^{}}{}t_{\mathrm{𝐫𝐫}^{}}^{}c_𝐫^{}c_𝐫^{}^{}+\underset{𝐫}{}\upsilon _𝐫^{}c_𝐫^{}c_𝐫^{}$$
(1)
on a hypercubic lattice. Here $`c_𝐫^{}`$ and $`c_𝐫`$ are the creation and annihilation operators at site $`𝐫`$, the hopping amplitudes are $`|t_{\mathrm{𝐫𝐫}^{}}|=1`$ for nearest-neighbour sites and zero otherwise. The on-site potentials $`\upsilon _𝐫`$ are Gaussian distributed with zero mean and $`\upsilon _𝐫\upsilon _𝐫^{}=(W^2/12)\delta _{\mathrm{𝐫𝐫}^{}}`$. As usual, the parameter $`W`$ characterises the strength of the disorder and $`\mathrm{}`$ denotes the disorder average. We study finite Q1D and 3D lattices.

It has been suggested in Ref. FyoM94,  to characterise the spatial structure of ALS by means of conditional averages of the form $`V^q|\psi (𝐫)|^{2q}_t`$. Here $`\mathrm{}_t`$ denotes an average over all wave functions with $`t=V|\psi (\mathrm{𝟎})|^2`$, $`q=1,2,\mathrm{}`$, and $`V`$ is the volume of the system (wave functions are normalised so that $`|\psi _j(𝐫)|^2=V^1`$). For large values of $`t`$, the average $`V^q|\psi (𝐫)|^{2q}_t`$ describes how wave functions decay, on average, away from the localisation centre.

In the metallic regime, typical wave functions fluctuate as described by random matrix theoryMeh90 ; Haa92  (RMT). Depending on the symmetries of (1), Dyson’s Gaussian orthogonal or unitary ensembles are appropriateMeh90 . We refer to these two cases by assigning, as usual, the parameter $`\beta =1`$ to the former and $`\beta =2`$ to the latter. Within RMT, for $`𝐫0`$,

$$V^q|\psi (𝐫)|^{2q}_t=\{\begin{array}{cc}1\hfill & \text{if }q=1,\hfill \\ 3\hfill & \text{if }q=2\text{ and }\beta =1,\hfill \\ 2\hfill & \text{if }q=2\text{ and }\beta =2.\hfill \end{array}$$
(2)
This reflects that in a metallic system, wave functions spread uniformly over the whole sample with spatially short-ranged correlationsFyoM94 ; BlaMM01 . In the presence of ALS, the conditional averages $`V^q|\psi (𝐫)|^{2q}_t`$ are expected to differ from (2).

In order to characterise the spatial structure of ALS in the weakly disordered Anderson model, the conditional averages $`\mathrm{}_t`$ were calculated within the DNLSM in Refs. FyoM94,  and Mir97, . For $`q=1`$ the authors write

$$V|\psi (𝐫)|^2_t=g(E,t;𝐫)/f(E,t),$$
(3)
where $`f(E,t)`$ is defined as

$$f(E,t)=\mathrm{\Delta }\underset{j}{}\delta (tV|\psi _j(\mathrm{𝟎})|^2)_{E_jE}.$$
(4)
Here $`\mathrm{\Delta }`$ is the mean energy level spacing and $`\mathrm{}`$ denotes a combined disorder and energy average (over a small interval of width $`\eta `$ centered around $`E`$). The function $`g(E,t;𝐫)`$ is defined as

$$g(E,t;𝐫)=\mathrm{\Delta }\underset{j}{}V|\psi _j(𝐫)|^2\delta (tV|\psi _j(\mathrm{𝟎})|^2)_{E_jE}.$$
(5)
Below, we take the $`\delta `$-functions in (4) and (5) to be slightly broadened with small but finite $`\gamma >0`$.

In close vicinity of the localisation centre, ALS are found to exhibit a very narrow peak (of width less than $`\mathrm{}`$). The expressions below apply for $`r>\mathrm{}`$ and thus describe the smooth background intensity, but not the sharp peak itselfMir97 . For $`\beta =2`$ one obtains for a Q1D conductorFyoM94 ; Mir97

$$f(E,t)=\frac{\mathrm{d}^2}{\mathrm{d}t^2}\left[𝒲^{(1)}(t/X,\tau _+)𝒲^{(1)}(t/X,\tau _{})\right]$$
(6)
and (assuming $`|𝐫|r>\mathrm{}`$)

$$g(E,t;𝐫)=X\frac{\mathrm{d}}{\mathrm{d}t}\left[\frac{𝒲^{(2)}(t/X,\tau _1,\tau _2)𝒲^{(1)}(t/X,\tau _{})}{t}\right]$$
(7)
where $`\tau _+=(Lx)/\xi `$, $`\tau _{}=x/\xi `$, $`\tau _1=r/\xi `$ and $`\tau _2=(Lxr)/\xi `$. Here, $`X=L/\xi `$, $`L`$ is the length of the sample, and $`\xi `$ is the localisation length. Moreover, $`x`$ is the distance of the observation point from the edge of the sample (c.f. Refs. FyoM94, ; Mir97, ). The function $`𝒲^{(1)}(z,\tau )`$ obeys the differential equation

$$\frac{}{\tau }𝒲^{(1)}(z,\tau )=\left(z^2\frac{^2}{z^2}z\right)𝒲^{(1)}(z,\tau )$$
(8)
with initial condition $`𝒲^{(1)}(z,0)=1`$. The function $`𝒲^{(2)}(z,\tau ,\tau ^{})`$ obeys the same differential equation, but with the initial condition $`𝒲^{(2)}(z,0,\tau )=z𝒲^{(1)}(z,\tau )`$.

For large values of $`t`$, it is suggested in Ref. Mir97,  that the background intensity should be given by

$$V|\psi (𝐫)|^2_t\frac{1}{2}\sqrt{tX}\left(1+r\sqrt{t/(L\xi )}\right)^2$$
(9)
where in accordance with the above $`r>\mathrm{}`$ is assumed, and also $`r\xi `$. Corresponding expressions may be obtained for higher values of $`q`$. One expectsMir97  (for $`\mathrm{}<r\xi `$)

$$V^q|\psi (𝐫)|^{2q}_tq!\left[V|\psi (𝐫)|^2_t\right]^q.$$
(10)
In 3D, by contrast, results corresponding to (8-10) are not knownMir97 , but it is expected that the background intensity of ALS is characteristically different from that in Q1D samples: ALS in 3D systems are expected SmoA97 ; Mir00  to exhibit a very narrow maximum near the localisation centre (the width of this peak is a matter of current debateSmoA97 ; Mir00 ). The background, however, is expected Mir97 ; Mir00  to decay very quickly to $`V|\psi (𝐫)|^2_t1`$. Furthermore, fluctuations around this average are expectedMir97  to be described by RMT \[see Eq. (2)\].

In the following we describe and discuss results of exact-diagonalisationsElsMMR99  of the Anderson Hamiltonian (1) and compare to the results of the previous section. We emphasise that at least in 3D it is important to use a Gaussian distribution for the on-site potentials in order to be able to compare to the analytical predictions: ALS are possibly non-universal, their spatial structure may depend on the properties of the random potential.

Our numerical results for $`V|\psi (𝐫)|^2_t`$ and $`V^2|\psi (𝐫)|^4_t`$ are summarised in Figures 1, 2, 3, and 4 . Figs. 1 and 3 show results for Q1D samples with $`\beta =2`$, while figs. 2 and 4 show results for 3D samples and $`\beta =1`$.

In all cases we see a very narrow peak at the localisation centre. Our main results, however, concern characteristic differences between the distribution of background intensities in Q1D and 3D samples. In the Q1D case we observe a global redistribution of background intensity towards the localisation centre (as compared with uniformly spread RMT wave functions). The numerical results are very well described by Eqs. (6-8). The asymptotic formula (9) considerably underestimates $`V|\psi (𝐫)|^2_t`$ for the values of $`t`$ used in Fig. 1. In the 3D case, by contrast, the background intensity is roughly constant (Fig. 2). This is consistent with the qualitative picture summarised above.

Figs. 3 and 4 show the second moments, i.e., the case $`q=2`$. In Q1D samples, Eq. (10) appears to be valid for large $`t`$, as expected. In 3D samples, the fluctuations of the background intensity appear to be consistent with the RMT statistics (although the scatter is large). That is, they are roughly constant as a function of $`r`$, as predicted in Ref. Mir97, . However, a closer inspection shows (inset of Fig. 4) that the second moment is somewhat higher than expected according to RMT. This is possibly due to the finite conductance in the systemFyoM94 ; Mir97 . The dip at $`r7`$ with $`t=30`$ could be due to insufficient averaging. Our current data do not permit to draw a definite conclusion here, it could also represent a systematic effect.

Summarising our results for $`r>l`$, we have made the following observations. First, in our simulations, the spatial structure of ALS depends on the dimension. In Q1D samples, we have observed a global redistribution of the background intensity towards the localisation centre (as compared with typical, uniformly spread extended states). In 3D samples, on the other hand, the background intensity is roughly constant; the wave-function intensity is significantly increased only in the very narrow vicinity of the localisation centre.

Second, the DNLSM appears to describe the spatial structure of background intensity of ALS adequately in the Q1D Anderson model. The agreement is good for all values of $`t`$ studied here. This verifies the assumption that the semiclassical picture of a diffusive electron accounts for the origin of ALS in the Q1D Anderson model.

Third, we must emphasise that at least in the Q1D case it appears to be difficult to reach the asymptotic regime where (9) is valid. We have thus not been able to observe the line shape suggestedMir97  to be characteristic of ALS in Q1D samples. We expect, however, that this characteristic shape is approached further as $`t`$ is increased.

Fourth, fluctuations around the average ALS, in Q1D, are consistent with Eq. (10). The agreement is the better the larger $`t`$ is, as seen in Fig. 3. This is so because Eq. (10) was derived (in Ref. Mir97, ) using asymptotic expressions.

Fifth, in 3D samples the fluctuations around the average ALS appear to be consistent with RMT, although the second moment is somewhat larger than expected according to RMT.

Finally, we briefly consider the region $`r<\mathrm{}`$. In the 3D case, the central peak is found to be very narrow. It is possibly much narrower than the electronic mean free path $`\mathrm{}`$ which is of the order of several lattice spacings in the metallic regimeNik02 . This may indicate that the DNLSM is not applicable in this case, since $`\mathrm{}`$ is the shortest relevant length scale in the DNLSM. It may also point towards the conjecture of Refs. SmoA97,  and Mir00,  where high wave-function amplitudes were suggested to arise from partial trapping of electrons in rare local potential cavities. Such features are not included in the DNLSM. At this point, however, we cannot offer quantitative results concerning the parametric dependence of the width of the central peak.

In conclusion, we have studied the spatial structure and statistics of anomalously localised states in the Anderson model. Our results indicate note  that the spatial structure of ALS in Q1D and 3D samples is very different, as surmised in Refs. Mir97, ; SmoA97, , and Mir00, . Our results are consistent with the idea that the origin of ALS is different in Q1D and in 3D. In order to decide to which extent local potential traps are relevant in 3D, it would be of great interest to study the parametric dependence of the width of the local maximum seen in Fig. 2. In this context, a continuous model would probably be more suitable than the discrete lattice Hamiltonian (1) studied in the present paper.

Acknowledgement. This work was supported by a grant from Vetenskapsrådet, and by the European Research Training Network QTRANS.