Dynamic exchange correlation effects in the strongly coupled electron liquid

Abstract

The first quasiexact path integral Monte Carlo (PIMC) investigation of the dynamic local field correction <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"> <a:mrow> <a:mover accent="true"> <a:mi>G</a:mi> <a:mo>̃</a:mo> </a:mover> <a:mrow> <a:mo>(</a:mo> <a:mi mathvariant="bold">q</a:mi> <a:mo>,</a:mo> <a:msub> <a:mi>z</a:mi> <a:mi>l</a:mi> </a:msub> <a:mo>;</a:mo> <a:msub> <a:mi>r</a:mi> <a:mi>s</a:mi> </a:msub> <a:mo>,</a:mo> <a:mi mathvariant="normal">Θ</a:mi> <a:mo>)</a:mo> </a:mrow> </a:mrow> </a:math> in the imaginary Matsubara frequency domain is reported, focusing on the unpolarized uniform electron gas in the warm dense matter and strongly coupled regimes. The impact of dynamic exchange–correlation effects on the static structure factor is investigated. A straightforward explanation is provided for previously reported spurious effects in the so-called [Dornheim , ], where the frequency dependence of the local field correction is neglected. The comprehensive analysis of the asymptotic Matsubara order behavior, the density dependence, and the temperature dependence hints at the intriguing possibility of constructing an analytical four-parameter representation of <e:math xmlns:e="http://www.w3.org/1998/Math/MathML"> <e:mrow> <e:mover accent="true"> <e:mi>G</e:mi> <e:mo>̃</e:mo> </e:mover> <e:mrow> <e:mo>(</e:mo> <e:mi mathvariant="bold">q</e:mi> <e:mo>,</e:mo> <e:msub> <e:mi>z</e:mi> <e:mi>l</e:mi> </e:msub> <e:mo>;</e:mo> <e:msub> <e:mi>r</e:mi> <e:mi>s</e:mi> </e:msub> <e:mo>,</e:mo> <e:mi mathvariant="normal">Θ</e:mi> <e:mo>)</e:mo> </e:mrow> </e:mrow> </e:math> valid for a substantial part of the uniform electron gas phase diagram, which would constitute key input for thermal density functional theory simulations. Published by the American Physical Society 2024

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