Quantum version of the integral equation theory based dielectric scheme for strongly coupled electron liquids

TL;DR

This paper introduces a quantum dielectric scheme for strongly coupled electron liquids that incorporates quantum effects beyond RPA and achieves high accuracy in static structure factor predictions without empirical parameters.

Contribution

It develops a novel quantum dielectric scheme based on integral equation theory, guided by ab initio simulations, to improve accuracy in strongly coupled electron liquids.

Findings

Accurately predicts static structure factors for electron liquids.

Operates without adjustable or empirical parameters.

Effective outside the Wigner crystallization region.

Abstract

A novel dielectric scheme is proposed for strongly coupled electron liquids that handles quantum mechanical effects beyond the random phase approximation level and treats electronic correlations within the integral equation theory of classical liquids. The self-consistent scheme features a complicated dynamic local field correction functional and its formulation is guided by ab initio path integral Monte Carlo simulations. Remarkably, our scheme is capable to provide unprecedently accurate results for the static structure factor with the exception of the Wigner crystallization vicinity, despite the absence of adjustable or empirical parameters.