Tobias Dornheim, Panagiotis Tolias, Zhandos Moldabekov, Jan Vorberger
{"title":"动态松原局部场校正的短波长极限","authors":"Tobias Dornheim, Panagiotis Tolias, Zhandos Moldabekov, Jan Vorberger","doi":"arxiv-2408.04669","DOIUrl":null,"url":null,"abstract":"We investigate the short wavelength limit of the dynamic Matsubara local\nfield correction $\\widetilde{G}(\\mathbf{q},z_l)$ of the uniform electron gas\nbased on direct \\emph{ab initio} path integral Monte Carlo (PIMC) results over\nan unprecedented range of wavenumbers, $q\\lesssim20q_\\textnormal{F}$, where\n$q_\\textnormal{F}$ is the Fermi wavenumber. We find excellent agreement with\nthe analytically derived asymptotic limit by Hou \\emph{et\nal.}~[\\textit{Phys.~Rev.~B}~\\textbf{106}, L081126 (2022)] for the static local\nfield correction and empirically confirm the independence of the short\nwavelength limit with respect to the Matsubara frequency $z_l$. In the warm\ndense matter regime, we find that the onset of the quantum tail in the static\nlocal field correction closely coincides with the onset of the algebraic tail\nin the momentum distribution function and the corresponding empirical criterion\nreported by Hunger \\emph{et al.}~[\\textit{Phys.~Rev.~E} \\textbf{103}, 053204\n(2021)]. In the strongly coupled electron liquid regime, our calculations\nreveal a more complicated non-monotonic convergence towards the $q\\to\\infty$\nlimit that is shaped by the spatial structure in the system. We expect our\nresults to be of broad interest for a number of fields including the study of\nmatter under extreme conditions, the development of improved dielectric\ntheories, and the construction of advanced exchange--correlation functionals\nfor thermal density functional theory.","PeriodicalId":501274,"journal":{"name":"arXiv - PHYS - Plasma Physics","volume":"23 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-08-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Short wavelength limit of the dynamic Matsubara local field correction\",\"authors\":\"Tobias Dornheim, Panagiotis Tolias, Zhandos Moldabekov, Jan Vorberger\",\"doi\":\"arxiv-2408.04669\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"We investigate the short wavelength limit of the dynamic Matsubara local\\nfield correction $\\\\widetilde{G}(\\\\mathbf{q},z_l)$ of the uniform electron gas\\nbased on direct \\\\emph{ab initio} path integral Monte Carlo (PIMC) results over\\nan unprecedented range of wavenumbers, $q\\\\lesssim20q_\\\\textnormal{F}$, where\\n$q_\\\\textnormal{F}$ is the Fermi wavenumber. We find excellent agreement with\\nthe analytically derived asymptotic limit by Hou \\\\emph{et\\nal.}~[\\\\textit{Phys.~Rev.~B}~\\\\textbf{106}, L081126 (2022)] for the static local\\nfield correction and empirically confirm the independence of the short\\nwavelength limit with respect to the Matsubara frequency $z_l$. In the warm\\ndense matter regime, we find that the onset of the quantum tail in the static\\nlocal field correction closely coincides with the onset of the algebraic tail\\nin the momentum distribution function and the corresponding empirical criterion\\nreported by Hunger \\\\emph{et al.}~[\\\\textit{Phys.~Rev.~E} \\\\textbf{103}, 053204\\n(2021)]. In the strongly coupled electron liquid regime, our calculations\\nreveal a more complicated non-monotonic convergence towards the $q\\\\to\\\\infty$\\nlimit that is shaped by the spatial structure in the system. We expect our\\nresults to be of broad interest for a number of fields including the study of\\nmatter under extreme conditions, the development of improved dielectric\\ntheories, and the construction of advanced exchange--correlation functionals\\nfor thermal density functional theory.\",\"PeriodicalId\":501274,\"journal\":{\"name\":\"arXiv - PHYS - Plasma Physics\",\"volume\":\"23 1\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-08-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"arXiv - PHYS - Plasma Physics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/arxiv-2408.04669\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"arXiv - PHYS - Plasma Physics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/arxiv-2408.04669","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Short wavelength limit of the dynamic Matsubara local field correction
We investigate the short wavelength limit of the dynamic Matsubara local
field correction $\widetilde{G}(\mathbf{q},z_l)$ of the uniform electron gas
based on direct \emph{ab initio} path integral Monte Carlo (PIMC) results over
an unprecedented range of wavenumbers, $q\lesssim20q_\textnormal{F}$, where
$q_\textnormal{F}$ is the Fermi wavenumber. We find excellent agreement with
the analytically derived asymptotic limit by Hou \emph{et
al.}~[\textit{Phys.~Rev.~B}~\textbf{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 $z_l$. 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 \emph{et al.}~[\textit{Phys.~Rev.~E} \textbf{103}, 053204
(2021)]. In the strongly coupled electron liquid regime, our calculations
reveal a more complicated non-monotonic convergence towards the $q\to\infty$
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.