Dynamic exchange correlation effects in the strongly coupled electron liquid

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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Journal
Physical review. B./Physical review. B
Published
2024-08-21
DOI
https://doi.org/10.1103/physrevb.110.075137
Citations
14
Primary Topic
Quantum, superfluid, helium dynamics
Type
article
Field-Weighted Citation Impact
4.73

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article

Dynamic exchange correlation effects in the strongly coupled electron liquid

Jan Vorberger, Tobias Dornheim, P. Tolias, Zhandos A. Moldabekov et al.
14 citations
Physical review. B./Physical review. B
Quantum, superfluid, helium dynamics
4.73
article

Dynamic exchange correlation effects in the strongly coupled electron liquid

Jan Vorberger, Tobias Dornheim, P. Tolias, Zhandos A. Moldabekov, Fotios Kalkavouras
article en
14 citations

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

Physical review. B./Physical review. BVol. 110(7)
Helmholtz-Zentrum Dresden-Rossendorf (DE), Center for Advanced Systems Understanding (DE), KTH Royal Institute of Technology (SE)
Bundesministerium für Bildung und Forschung
Openalex Percentile: Top 4%
Quantum, superfluid, helium dynamics
4.73
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