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

Author:

Tolias Panagiotis1ORCID,Lucco Castello Federico1ORCID,Dornheim Tobias23ORCID

Affiliation:

1. Space and Plasma Physics - Royal Institute of Technology (KTH) 1 , SE-10044 Stockholm, Sweden

2. Center for Advanced Systems Understanding (CASUS) 2 , D-02826 Görlitz, Germany

3. Helmholtz-Zentrum Dresden-Rossendorf (HZDR) 3 , D-01328 Dresden, Germany

Abstract

A novel dielectric scheme is proposed for strongly coupled electron liquids, which 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 of providing unprecedently accurate results for the static structure factor with the exception of the Wigner crystallization vicinity, despite the absence of adjustable or empirical parameters.

Funder

Swedish National Space Agency

Norddeutscher Verbund fur Hoch- und Höchstleistungsrechnen

Swedish Research Council

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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