Phase space path integral representation of the dynamic structure factor. Monte Carlo simulation of strongly correlated soft-sphere fermions

TL;DR

This paper introduces a quantum path integral Monte Carlo method based on the Wigner formulation to compute the dynamic structure factor of strongly correlated soft-sphere fermions, revealing interference effects and potential localization phenomena.

Contribution

It develops a novel Wigner path integral Monte Carlo approach for quantum systems, enabling calculation of dynamic structure factors and thermodynamic functions in strongly correlated fermions.

Findings

Peaks in RDFs and DSF explained by interference effects.

Interference effects may indicate precursor to Anderson localization.

Method applicable across various densities and temperatures.

Abstract

The dynamic structure factor (DSF) is a mathematical function that contains information about inter-particle correlations and their time evolution. Mostly the classical molecular dynamics is used to calculate the DSF of the classical systems. On the contrary this article deals with quantum systems and the quantum dynamic structure factor. The Wigner formulation of quantum mechanics was used to derive the path integral representation of the DSF, which is based on the Wiener-Khinchin theorem showing relation of the the power spectrum of a random paths to their correlation function. The $3 {\rm D} $ quantum system of strongly correlated soft-sphere fermions was considered as an interesting physical example. The developed Wigner path integral Monte Carlo (WPIMC) approach has been developed to calculate the spin--resolved DSFs, the radial distribution functions (RDFs) and other thermodynamic functions in a wide range of density and temperatures. The physical meaning of the peaks arising on the RDFs and DSF have been analyzed and explained by the manifestation of the interference effects of the exchange and interparticle interactions and, as well as, the wave interference between multiple-scattering. This phenomenon in the system of the soft-sphere scatterers may to be the precursor effect of the Anderson localization, which finds its origin in the wave interference between multiple-scattering paths.