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

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arxiv 2205.12861 v2 pith:AHKETKZH submitted 2022-05-25 physics.plasm-ph cond-mat.str-elphysics.comp-ph

classification physics.plasm-phcond-mat.str-elphysics.comp-ph
keywords densewarmelectronexchange-correlationlarge-matterrealanalytical
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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 $K_{\rm XC}(q;T)$ 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 $q \to \infty$, we obtain large-$q$ tails of $K_{\rm XC}$ with high precision. It is shown that the $K_{\rm XC}$ data can be reliably transformed into real space, which can be directly used in density-functional-theory calculations of real warm dense matter.

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