Strongly coupled electron liquid: Ab initio path integral Monte Carlo simulations and dielectric theories

Tobias Dornheim, Travis Sjostrom, Shigenori Tanaka, and Jan Vorberger
Phys. Rev. B 101, 045129 – Published 27 January 2020

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 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 20rs100 and 0.5θ4. 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.

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  • Received 19 November 2019
  • Revised 9 January 2020

DOI:https://doi.org/10.1103/PhysRevB.101.045129

©2020 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied PhysicsStatistical Physics & Thermodynamics

Authors & Affiliations

Tobias Dornheim1,*, Travis Sjostrom2, Shigenori Tanaka3, and Jan Vorberger4

  • 1Center for Advanced Systems Understanding (CASUS), Görlitz D-02826, Germany
  • 2Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
  • 3Graduate School of System Informatics, Kobe University, Kobe 657-8501, Japan
  • 4Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstraße 400, D-01328 Dresden, Germany

  • *t.dornheim@hzdr.de

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Vol. 101, Iss. 4 — 15 January 2020

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