Computer simulation of the non-local dielectric function of polar liquids: boundary conditions revisited

For the calculation of ε(k) via the correlation function of the bound charge density fluctuations or the ratio of the bound charge density to an external charge density, a generalized form of the fluctuation dissipation theorem is derived which accounts for different types of boundary conditions through a modified Green's function. It is demonstrated for the case of an interaction site model of water that it is possible to obtain consistent results for the non-local dielectric function with different types of boundary conditions. This is shown by calculating ε(k) both from the correlation function 〈ρ_b(k)ρ_b(-k)〉 and from the dielectric response to an external electric field.     

High-order vibrational relaxation: a nonperturbative theory

A nonperturbative theory of the multiphonon relaxation of a localized vibrational mode, caused by a high-order anharmonic interaction with the nearest atoms of the crystal lattice, is proposed. It relates the rate of the process to the positive frequency part of the time-dependent non-stationary displacement correlation function of atoms. The nonlinear integral equation for this function is derived and solved numerically. We have found that the rate exhibits a critical behavior: it sharply increases near a specific (critical) value(s) of the interaction; the corresponding dependence is characterized by the critical index k - 1, where k is the number of the created phonons. Received 2 May 2002 Published online 31 July 2002     

Neutron scattering by anharmonic crystals and the effect of sublattice displacements

A theory has been given for the scattering of neutrons by anharmonic crystals, for which terms of the typeV ⁽³⁾ (k _1j1; —k _1j1;o _j) which contribute to the sublattice displacements are not neglected. Using the standard perturbation theory in the interaction picture or Green’s function method, an expression has been derived for the differential scattering cross-section which brings in the shift and the width of the phonons in one-phonon energy exchange processes. It is shown that the sublattice displacements will modify the phase factor arising from the scattering by any atom in the unit cell, and the Debye-Waller factor also gets altered both by the sublattice displacements as well as by higher order terms arising from anharmonicity. It is shown that the differential scattering cross-section contains a term linearly depending on the third order anharmonicity coefficientV ⁽³⁾ (k _1j1;k _2j2;k _3j3) and neutron scattering by crystals should provide a useful method for evaluating the third order anharmonicity coefficients.     

Computation and analysis of the dynamic structure factor S(k, ω) for small wave vectors

Molecular dynamics (MD) calculations have been performed for the Lennard-Jones (12-6) potential function using 2048 particles. Using conventional parameters the results may be compared with those for liquid argon.

The dynamic structure factor S(k, ω) has been determined both by Fourier inversion of the intermediate scattering function F(k, t) and from the longitudinal current-current correlation function C _∥(k, t). Particular attention was paid to the recurrence time of the system. The results for S(k, ω) by the two methods agree within 5 per cent for the whole region of small k-vectors considered. Double Fourier inversion of the van Hove function G(r, t) led to insufficiently accurate results for these small k-values. In view of the present data, the MD-results of Levesque et al. [1] for S(k, ω) have only a qualitative character. These latter data appear to contain truncation errors due to incomplete Fourier transformations.

Using a hydrodynamic assumption for F(k, t) we were able to extract the transport coefficients, the velocity of sound and the ratio of the specific heats in the limit of large wave lengths or small k. The velocity of sound was obtained by exploiting the MD generated anomalous dispersion curve of sound waves. Anomalous dispersion was found to set in for kσ ～ 0·25. A sound speed of 880 ms^-1 has been determined which is in excellent agreement with experimental values for liquid argon. The total error for the MD value amounts to about 5 per cent. In contrast, the ratio of the specific heats γ and the transport coefficients D _T and Γ (thermal diffusivity and sound attenuation) were determinable only with an accuracy of 15 per cent due to the need for larger extrapolations. Nevertheless, we found D _T, Γ and γ in agreement with experimental values within 5-10 per cent.     

Magnetization of optically polarized gas atoms by an optical pulse train

The properties of the density matrix and the multipole moments arising in oriented and aligned atoms with zero nuclear spin through the interaction with strong resonant ultrashort pulses with wave vector k ₀ and circular or linear polarization have been found. Calculations have been made for the time-dependent light-induced magnetization μ(t′) of a gas of pre-oriented and prealigned atoms following the passage of a weak resonant elliptically polarized pulse with frequency ω and wave vector k collinear with k ₀. It is shown that for oriented atoms, μ(t′) is an even function of the detuning from resonance, ω-ω _ba, and can be split into two terms whose directions are a consequence of symmetry and are determined by the vectors k ₀ and k as well as by the direction of rotation of the electric fields corresponding to the pulses. For aligned atoms the vector μ(t′) is collinear with k, and the first term is an even function of ω-ω _ba. However, the second term is an odd function of ω-ω _ba and reverses direction when the sign of ω-ω _ba changes, as well as when the orientation of the axes of the polarization ellipse is changed. It is shown that if a series of weak linearly polarized pulses pass through the gas, the light-induced magnetization of the oriented and aligned gas atoms can be decomposed into three factors: the first determines the direction and is a consequence of the symmetry; the second (with the dimensions of magnetic moment) depends on the characteristics of the resonant transitions; and the third is a universal function of t′ and ω-ω _ba that does not depend on the underlying characteristics of the resonant transition. These vector factors and the universal functions are in principle different for oriented and aligned atoms. Zh. éksp. Teor. Fiz. 111, 63–92 (January 1997)     

Kinematic mechanism of the modulation of the spectral intensity in the spatially uniform system of Hubbard fermions

Using the exact representation of the Green’s function constructed in terms of the Hubbard operators, it has been shown that the kinematic interaction that induces the spin-fluctuation processes in the spatially uniform system of Hubbard fermions leads to significant variations in the spectral intensity A(k, ω) in the Brillouin zone. As a result, the modulation of A(k, ω) appears in the Fermi contour. The sign of the hopping integral within the first coordination sphere is determined by the contour section, where A(k, ω) decreases according to the angle-resolved photoemission spectroscopy data.     

Superstring on pp-wave orbifold from large-N quiver gauge theory

We extend the proposal of Berenstein, Maldacena and Nastase to the Type IIB superstring propagating on a pp-wave over the R ⁴/Z _k orbifold. We show that first-quantized free string theory is described correctly by the large-N, fixed gauge coupling limit of [U(N)] ^k quiver gauge theory. We propose a precise map between gauge theory operators and string states for both untwisted and twisted sectors. We also compute leading-order perturbative correction to the anomalous dimensions of these operators. The result is in agreement with the value deduced from the string energy spectrum, thus substantiating our proposed operator-state map. Received: 14 March 2002 / Published online: 5 July 2002     

Dynamics and sedimentation velocity in charge-stabilized colloidal suspensions

Summary Charge-stabilized suspensions are characterized by the strong electrostatic interactions between the particles so that rather dilute systems may exhibit strong correlation resulting in a well-developed short-range order. This microstructure, quantitatively described by the pair distribution functiong(r), is rather different from that of (uncharged) hard spheres. It is shown how this difference affects the ?hydrodynamic function?H(k), which appears in the expression for the first cumulant Γ(k)=k ² D _eff(k)=k ² H(k)/S(k) of the dynamic autocorrelation function. Without hydrodynamic interaction,H(k)=D ⁰, which is the free-diffusion coefficient. Using pairwise additive hydrodynamic interaction and the lowest-order many-body theory of hydrodynamic interaction, it is found thatH(k) can deviate considerably fromD ⁰ even for systems of volume fractions ϕ as low as 10⁻³. These effects are more pronounced for collective diffusion than for self-diffusion. SinceH(k=0) is closely related to the sedimentation velocity, we have studied this quantity as a function of volume fraction. It is found that (H(0)/D ⁰) −1 scales asφ ^1/3 at low ϕ in salt-free suspensions. Paper presented at the I International Conference on Scaling Concepts and Complex Fluids, Copanello, Italy, July 4–8, 1994.     

Single-hole state in half-filled 2D Hubbard model

Summary We have investigated the ground state of a single hole in the half-filled Hubbard model on a 2D square lattice using the coupled-cluster method. In particular we obtained an analytical expression of the hole energy dispersion function ɛ(k) which is consistent with earlier studies on thet-J model in the strong-coupling limit. An appreciable discrepancy on the hole energy bandwidth is, however, observed between the Hubbard model and thet-J model. We believe that this discrepancy is due to the absence of the three-site interaction term in thet-J model.     

A note on mean-field behavior for self-avoiding walk on branching planes

We consider the critical behavior of the susceptibility of the self-avoiding walk on the graphT×Z, whereT is a Bethe lattice with degreek andZ is the one dimensional lattice. By directly estimating the two-point function using a method of Grimmett and Newman, we show that the bubble condition is satisfied whenk>2, and therefore the critical exponent associated with the susceptibility equals 1.     

Excitonic polaron in the molecular crystal model: Nonlocal dynamic coherent-potential approximation

A nonlocal dynamic coherent-potential approximation is formulated as a further development of the dynamic coherent-potential method. The nonlocal dynamic coherent-potential approximation is an efficient method of determining the one-exciton Green’s function in a model with the Hamiltonian in the strong-coupling approximation, where a spectrum of optical phonons is assumed, and the exciton-phonon interaction operator is linear or quadratic in the phonon operators. A system of recursion equations is derived, from which the coherent potential is found as a function of the energy E and the wave vector k. An analytical expression is derived for the one-exciton Green’s function in the case of narrow (in comparison with the phonon energy) exciton bands and exciton-phonon interaction linear in the phonon operators. For broader exciton bands and more complex exciton-phonon interaction the system of equations determining the coherent potential represents a recursion algorithm, which can be effectively implemented by numerical means. Fiz. Tverd. Tela (St. Petersburg) 39, 1560–1563 (September 1997)     

The effect of perturbedk-selection and gap shrinkage on the optical transitions in III–V semiconductors

Optical transitions in direct semiconductors are governed according to simple one-electron treatment by ak-selection rule, which in doped or mixed crystals is but lifted to some extent (k) caused by 1) shallow impurities, 2) isoelectronic impurities or 3) alloy scattering. Values of k for these mechanisms are given and the implications for line shapes of optical spectra are discussed.Furthermore, as to the position of lines in the optical spectra of highly doped or highly excited crystals, gap shrinkage effects have to be considered, three main mechanisms of which can be distinguished: 1) Quadratic response of the band edges with respect to the fluctuating potential of the (screened) impurities, 2) polaron effects and 3) carrier exchange and correlation effects. Results of theoretical calculation are compared with experimental findings for GaAs and GaP. The practical importance of gap shrinkage effects for gain measurements and for the operation of (Ga, Al) As laser diodes is pointed out.From the Coulomb interaction of the carriers an additional mechanism for the lifting of thek-selection rule (especially valid for pure, but excited semiconductors) can be derived (plasmon coupling): Estimations show that the simplek-selection rule is almost never fulfilled within the energy range of emission spectra and that these spectra can be well explained simply assuming no-k-selection even for pure direct material.     

Stable potentials I

We discuss a conjecture of Ruelle concerningstable potentials on a group. For the groupsZ ₂,Z ₃, ₄, andZ ₆ any stable potential can be written as the sum of a non-negative function and a function of non-negative type. This is not true for the groupsZ _k (k odd, 5). For the Euclidean groupR ^v the question is open.Supported by NSF GP 7946.     

Pseudogap state of two-dimensional Kondo lattice

The pseudogap behavior of spectral function A(k, ω) of charge carriers is considered in the weak doping regime for a 2D Kondo lattice with a strong spin-hole antiferromagnetic interaction. The scattering of carriers is described in terms of a local polaron according to the irreducible Green functions. The behavior of the carrier spectrum in the nodal and antinodal domains is considered. The resultant value of the pseudogap is in conformity with experimental data on photoemission with angular resolution.     

A shell-model approach to fractal-induced turbulence

We present a shell-model of fractal induced turbulence which predicts that structure function scaling exponents decrease in absolute value as the fractal dimension of the turbulence-inducing fractal object increases. This qualitative prediction is in agreement with laboratory measurements. Finer details of the fractal induced turbulence statistics and dynamics depend on the fractal force's phases, i.e. on the detailed construction of the fractal stirrer. In a case of deterministic forcing phases, a critical fractal dimension exists below which the average rate of inter-scale energy transfer <T _n> is a decreasing function of the wavenumber k_n and the structure function scaling exponents take close to Kolmogorov values. Above this critical fractal dimension, <T _n> is an increasing function of k_n and the structure function scaling exponents deviate significantly from Kolmogorov values. Received 25 June 2001 / Received in final form 5 April 2002 Published online 19 July 2002     

Neutron Matter Properties Using Skyrme Interaction

The purpose of the present work is to extend earlier nuclear matter calculations to study the properties of neutron matter. The binding energy per particle, symmetry energy, single particle potential, effective mass, and magnetic susceptibility are calculated using a modified Skyrme interaction. These are calculated as a function of the Fermi momentum k_f in the range 0 < k_f < 2 fm^?1. Two sets of the interaction parameters are obtained by fitting the interaction parameters using the available information on neutron matter. Relativistic corrections to the order 1/c² are also calculated. The relativistic corrections are very small and they increase as k_f is increased.     

有限温度下光频支声子-磁振子相互作用对磁振子寿命的影响

在二维复式正方Heisenberg铁磁系统的基础上建立了磁振子-声子相互作用模型.利用松原格林函数理论研究了系统的磁振子寿命,计算了布里渊区的主要对称点线上的磁振子衰减的变化曲线,比较了磁性离子的与非磁性离子的光频支声子对磁振子衰减的影响以及各项参数的变化和温度对磁振子衰减的影响.发现光频支声子-磁振子耦合对磁振子衰减起主要作用,尤其是纵向光频支声子对磁振子衰减起更大的作用,并且非磁性离子的光频支声子对磁振子衰减的作用比磁性离子的光频支声子对磁振子衰减的作用更显著.根据关系式-Im∑^*(1)(k)=/(2τ)可以对磁振子寿命进行判断. 关键词： 光频支声子-磁振子相互作用 磁振子衰减 磁振子寿命 绝缘复式正方铁磁体系统     

Trajectory attractor of a reaction-diffusion system with a series of zero diffusion coefficients

We study a reaction-diffusion system of N equations with k nonzero and N − k zero diffusion coefficients. More exactly, the first k equations of the system contain the terms a _i Δu _i − f _j (u, v), i = 1, …, k, with the diffusion coefficient a _i > 0. The right-hand sides of the other N − k equations contain only nonlinear interaction functions −h _j (u, v), j = k + 1, …, N, with zero diffusion. Here u = (u ₁, …, u _k ) and v = (υ _k+1, …, υ _N ) are unknown concentration vectors. Under appropriate assumptions on the interaction functions f(·) and h(·), we construct the trajectory attractor of this reaction-diffusion system. We also find the trajectory attractors , δ = (δ ₁, …, δ _k ), for the analogous reaction-diffusion systems having the terms δ _j Δυ _j − h _j (u, v), j = k + 1, …, N, with small diffusion coefficients δ _j ⩾ 0 in the last N − k equations. We prove that the trajectory attractors converge to (in an appropriate topology) as δ → 0+. Dedicated to the memory of Vladimir Borovikov Partially supported by the Russian Foundation for Basic Research (projects nos. 08-01-00784 and 07-01-00500).     

Is the light velocity in vacuum really a constant? Possible breakdown of the linear ω-k relation at extremely high frequencies

We investigate the novel problem of what happens in special relativity and in relativistic field theories whenthree-dimensional space is quantized. First we examine the equation for elastic waves on a linear chain, the simplest example of a quantized medium, and propose, on its analogy, a nonlinearp-k relationp=k(sinhkl)/kl for light and material waves. Here,kl is a new variable which represents the space-quantization effect on the plane wave of wave numberk=|k|. (Note thatkl=0 givesp=k.) This relation makes the light velocity in vacuum dependent onkl. We postulate, however, that the phase and group velocities of each individual light wave are still invariant, and try to generalize special relativity to the case ofkl 0. This can be simply done if the invariance ofkl is assumed. Our results suggest that localization might be a relative concept. One interesting consequence of our proposal is that relativistic field theories become automatically finite. This comes out without violating unitarity or causality. A precise measurement of velocities of high-energy photons or massive particles is desirable for checking our proposal.