The Strongly Coupled Electron Liquid: ab initio Path Integral Monte Carlo Simulations and Dielectric Theories

TL;DR

This paper uses ab initio path integral Monte Carlo simulations to analyze the strongly coupled electron liquid, comparing results with dielectric theories and providing comprehensive data on interaction energies at finite temperatures.

Contribution

It presents extensive PIMC simulation data for the strongly coupled electron liquid and evaluates dielectric approximations, enhancing understanding of this fundamental system.

Findings

Different dielectric schemes reproduce various features of PIMC results.

Provided a comprehensive data table of interaction energies.

Discussed the potential for charge-density wave formation.

Abstract

The strongly coupled electron liquid provides a unique opportunity to study the complex interplay of strong coupling with quantum degeneracy effects and thermal excitations. To this end, we carry out extensive \textit{ab initio} path integral Monte Carlo (PIMC) simulations to compute the static structure factor, interaction energy, density response function, and the corresponding static local field correction in the range of $20\leq r_s \leq 100$ and $0.5\leq \theta\leq 4$. We subsequently compare these data to several dielectric approximations, and find that different schemes are capable to reproduce different features of the PIMC results at certain parameters. Moreover, we provide a comprehensive data table of interaction energies and compare those to two recent parametrizations of the exchange-correlation free energy, where they are available. Finally, we briefly touch upon the possibility of a charge-density wave. The present study is complementary to previous investigations of the uniform electron gas in the warm dense matter regime and, thus, further completes our current picture of this fundamental model system at finite temperature. All PIMC data are available online.