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Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics

Analytical properties of the quadratic density response and quadratic dynamical structure functions: Conservation sum rules and frequency moments

J. M. Rommel, Gabor J. Kalman

Published Oct 1, 1996• 17 citations
Publisher

Abstract

The quadratic density response function and the quadratic dynamical structure function (the Fourier transform of the equilibrium three-point density correlations) contain important information about a many body system; they are also ingredients for an improved dynamical mean field theory for strongly coupled Fermi systems. We examine the analytic properties of the density response function and establish new single frequency and double frequency moment sum rules. We relate the sum rule coefficients to the high frequency expansion of the response function. Next we invoke the quadratic fluctuation-dissipation theorem to relate these frequency moments to weighted frequency moments of the dynamical structure function. These latter reduce to straight frequency moments in the high temperature classical and zero temperature degenerate limits. \textcopyright{} 1996 The American Physical Society.

DOI
10.1103/physreve.54.3518

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The quadratic density response function and the quadratic dynamical structure function (the Fourier transform of the equilibrium three-point density correlations) contain important information about a many body system; they are also ingredients for an improved dynamical mean field theory for strongly coupled Fermi systems. We examine the analytic properties of the density response function and establish new single frequency and double frequency moment sum rules. We relate the sum rule coefficients to the high frequency expansion of the response function. Next we invoke the quadratic fluctuation-dissipation theorem to relate these frequency moments to weighted frequency moments of the dynamical structure function. These latter reduce to straight frequency moments in the high temperature classical and zero temperature degenerate limits. \textcopyright{} 1996 The American Physical Society.
A derivation of a general relationship between the frequency- and wave-number-dependent longitudinal quadratic response functions and the three-point dynamical structure function (the Fourier transform of the equilibrium three-point density-density correlations) is presented. This relationship is the full quadratic equivalent, valid for quantum systems of arbitrary degeneracy, of the customary (linear) fluctuation-dissipation theorem. The high-temperature limit reproduces earlier classical results, while its zero-temperature limit is characterized by a piecewise analytic behavior in the (${\ensuremath{\omega}}_{1}$${\ensuremath{\omega}}_{2}$) plane, generated by the respective dominance of the differently ordered triplets of density operators. There are two main versions of the theorem. In the first the completely symmetrized combination of the three-point functions is expressed in terms on a ``triangle-symmetrized'' [in the (k\ensuremath{\omega}) space] combination of the response functions. In the second ``inverted'' form, each of the six differently ordered three-point functions is expressed in terms of combinations of response functions, where the triangle symmetry is broken.
While the theory of linear response functions in many body theory has developed into a substantial lore over the past decades, rather little is known about the properties and behavior of higher order (quadratic, etc.) response functions of many body systems. In this poster we first review essential elements of quadratic response theory such as the quadratic fluctuation dissipation theorems and sum rules for the quadratic density response function. Next we show how the correlational local field G(k,ω) in the linear response is fundamentally linked to the quadratic response function which opens a way to a non-perturbational analysis of the former. We proceed to present the results of the explicit calculation of the quadratic density response of 2D and 3D electron gas. Both, real and imaginary part of the latter reveal an extremely rich behavior. Of particular interest is the comparison between the two- and the three-dimensional case.
The finite temperature dynamical response function including the dynamical local field is derived within a quasiparticle picture for interacting one-, two-, and three-dimensional Fermi systems. The correlations are assumed to be given by a density-dependent effective mass, quasiparticle energy shift, and relaxation time. The latter one describes disorder or collisional effects. This parametrization of correlations includes local-density functionals as a special case and is therefore applicable for density-functional theories. With a single static local field, the third-order frequency sum rule can be fulfilled simultaneously with the compressibility sum rule by relating the effective mass and quasiparticle energy shift to the structure function or pair-correlation function. Consequently, solely local-density functionals without taking into account effective masses cannot fulfill both sum rules simultaneously with a static local field. The comparison to the Monte Carlo data seems to support such a quasiparticle picture.
Sum rules for response functions represent some of the few exact results in many-body physics, relating the dynamical response functions to equilibrium ground state properties. To date, however, sum rules have been examined primarily for linear response functions. In this work, the authors introduce a spectral density representation for second-order response functions, using it to systematically derive families of sum rules, including a nonlinear extension of the well-known fff-sum rule. This work places important constraints on future nonlinear spectroscopic experiments.
Abstract The doubly differential cross-section for weak inelastic scattering of waves or particles by manybody systems is derived in Born approximation and expressed in terms of the dynamic structure factor according to van Hove. The application of this very general scheme to scattering of neutrons, x-rays and high-energy electrons is discussed briefly. The dynamic structure factor, which is the space and time Fourier transform of the density-density correlation function, is a property of the many-body system independent of the external probe and carries information on the excitation spectrum of the system. The relation of the electronic structure factor to the density-density response function defined in linear-response theory is shown using the fluctuation-dissipation theorem. This is important for calculations, since the response function can be calculated approximately from the independent-particle response function in self-consistent field approximations, such as the random-phase approximation or the local-density approximation of the density functional theory. Since the density-density response function also determines the dielectric function, the dynamic structure can be expressed by the dielectric function.