Short Wavelength Limit of the Dynamic Matsubara Local Field Correction

ABSTRACT We investigate the short wavelength limit of the dynamic Matsubara local field correction of the uniform electron gas based on direct ab initio path integral Monte Carlo (PIMC) results over an unprecedented range of wavenumbers, , where is the Fermi wavenumber. We find excellent agreement with the analytically derived asymptotic limit by Hou et al. [ Phys. Rev. B 106 , L081126 (2022)] for the static local field correction and empirically confirm the independence of the short wavelength limit with respect to the Matsubara frequency . In the warm dense matter regime, we find that the onset of the quantum tail in the static local field correction closely coincides with the onset of the algebraic tail in the momentum distribution function and the corresponding empirical criterion reported by Hunger et al. [ Phys. Rev. E 103 , 53204 (2021)]. In the strongly coupled electron liquid regime, our calculations reveal a more complicated non‐monotonic convergence towards the limit that is shaped by the spatial structure in the system. We expect our results to be of broad interest for a number of fields including the study of matter under extreme conditions, the development of improved dielectric theories, and the construction of advanced exchange–correlation functionals for thermal density functional theory.

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Publication Details

Journal
Contributions to Plasma Physics
Published
2025-03-28
DOI
https://doi.org/10.1002/ctpp.70000
Citations
2
Primary Topic
Seismic Waves and Analysis
Type
article
Field-Weighted Citation Impact
3.73

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article

Short Wavelength Limit of the Dynamic Matsubara Local Field Correction

Jan Vorberger, Tobias Dornheim, P. Tolias, Zhandos A. Moldabekov
2 citations
Contributions to Plasma Physics
Seismic Waves and Analysis
3.73
article

Short Wavelength Limit of the Dynamic Matsubara Local Field Correction

Jan Vorberger, Tobias Dornheim, P. Tolias, Zhandos A. Moldabekov
article en
2 citations

Abstract

ABSTRACT We investigate the short wavelength limit of the dynamic Matsubara local field correction of the uniform electron gas based on direct ab initio path integral Monte Carlo (PIMC) results over an unprecedented range of wavenumbers, , where is the Fermi wavenumber. We find excellent agreement with the analytically derived asymptotic limit by Hou et al. [ Phys. Rev. B 106 , L081126 (2022)] for the static local field correction and empirically confirm the independence of the short wavelength limit with respect to the Matsubara frequency . In the warm dense matter regime, we find that the onset of the quantum tail in the static local field correction closely coincides with the onset of the algebraic tail in the momentum distribution function and the corresponding empirical criterion reported by Hunger et al. [ Phys. Rev. E 103 , 53204 (2021)]. In the strongly coupled electron liquid regime, our calculations reveal a more complicated non‐monotonic convergence towards the limit that is shaped by the spatial structure in the system. We expect our results to be of broad interest for a number of fields including the study of matter under extreme conditions, the development of improved dielectric theories, and the construction of advanced exchange–correlation functionals for thermal density functional theory.

Contributions to Plasma PhysicsVol. 65(8-9)
Helmholtz-Zentrum Dresden-Rossendorf (DE), Center for Advanced Systems Understanding (DE), KTH Royal Institute of Technology (SE)
H2020 European Research Council
Openalex Percentile: Top 9%
Seismic Waves and Analysis
3.73
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