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

Peng Cheng Hou, Bao Zong Wang, Kristjan Haule, Youjin Deng, Kun Chen

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


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) of a warm dense electron gas for a broad range of temperature T and momentum q. We observe several interesting physics, including the T-dependent evolution of the hump structure and the large-q tail and the emergence of a scaling relation. Particularly, by deriving an analytical form for q→∞, we obtain large-q tails of KXC with high precision. It is shown that the KXC data can be reliably transformed into real space, which can be directly used in density-functional-theory calculations of real warm dense matter.

Original languageEnglish (US)
Article numberL081126
JournalPhysical Review B
Issue number8
StatePublished - Aug 15 2022
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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