Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf
2 PublicationsStrongly coupled electron liquid: Ab initio path integral Monte Carlo simulations and dielectric theories
Dornheim, T.; Sjostrom, T.; Tanaka, S.; Vorberger, J.
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 20≤rs≤100 and 0.5≤θ≤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.
Keywords: warm dense matter; electron liquid; dielectric theory; quantum monte carlo; local field correction; ab initio
Related publications
-
Strongly coupled electron liquid: Ab initio path integral Monte Carlo …
ROBIS: 32038 HZDR-primary research data are used by this (Id 30812) publication
- Physical Review B 101(2020), 045129
-
Contribution to WWW
arXiv:1911.07598 [physics.comp-ph]: https://arxiv.org/abs/1911.07598
Downloads
Permalink: https://www.hzdr.de/publications/Publ-30812
Years: 2023 2022 2021 2020 2019 2018 2017 2016 2015