English

Exchange-correlation effect in the charge response of a warm dense electron gas

Plasma Physics 2022-09-19 v2 Strongly Correlated Electrons Computational Physics

Abstract

The study of warm dense matter, widely existing in nature and laboratories, is challenging due to the interplay of quantum and classical fluctuations. We develop a variational diagrammatic Monte Carlo method and determine the exchange-correlation kernel KXC(q;T)K_{\rm XC}(q;T) of a warm dense electron gas for a broad range of temperature TT and momentum qq. We observe several interesting physics, including the TT-dependent evolution of the hump structure and the large-qq tail and the emergence of a scaling relation. Particularly, by deriving an analytical form for qq \to \infty, we obtain large-qq tails of KXCK_{\rm XC} with high precision. It is shown that the KXCK_{\rm XC} data can be reliably transformed into real space, which can be directly used in density-functional-theory calculations of real warm dense matter.

Keywords

Cite

@article{arxiv.2205.12861,
  title  = {Exchange-correlation effect in the charge response of a warm dense electron gas},
  author = {Peng-Cheng Hou and Bao-Zong Wang and Kristjan Haule and Youjin Deng and Kun Chen},
  journal= {arXiv preprint arXiv:2205.12861},
  year   = {2022}
}