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Dynamic Properties of the Warm Dense Uniform Electron Gas With the qSTLS Dielectric Scheme
KTH, School of Electrical Engineering and Computer Science (EECS), Electrical Engineering, Space and Plasma Physics.ORCID iD: 0000-0001-9632-8104
KTH, School of Electrical Engineering and Computer Science (EECS), Electrical Engineering, Space and Plasma Physics.ORCID iD: 0009-0005-9338-3163
Center for Advanced Systems Understanding (CASUS), Görlitz, Germany; Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Dresden, Germany.ORCID iD: 0000-0001-7293-6615
KTH, School of Electrical Engineering and Computer Science (EECS), Electrical Engineering, Space and Plasma Physics.ORCID iD: 0000-0002-7310-3508
2025 (English)In: Contributions to Plasma Physics, ISSN 0863-1042, E-ISSN 1521-3986, Vol. 65, no 8-9, article id e70014Article in journal (Refereed) Published
Abstract [en]

The recently derived Fourier-Matsubara expansion of imaginary-time correlation functions comprises an exact result of linear response theory for finite-temperature quantum many-body systems. In its density-density version, the expansion facilitates systematic comparisons between quasi-exact ab initio path integral Monte Carlo simulations and approximate dielectric formalism schemes at the level of the imaginary-time (density-density) correlation functions and the dynamic Matsubara local field corrections. On this theoretical basis, the dynamic properties of the quantum version of the Singwi-Tosi-Land-Sj & ouml;lander scheme are analyzed for the paramagnetic warm dense uniform electron gas. The marginal improvement compared to the semi-classical version of the Singwi-Tosi-Land-Sj & ouml;lander scheme is attributed to the weak Matsubara order dependence of the approximate dynamic Matsubara local field correction. The evaluation of the ideal density response function at the non-interacting occupation numbers is identified to constitute a general deficiency of the dielectric formalism, which calls for a reformulation in future works.

Place, publisher, year, edition, pages
Wiley , 2025. Vol. 65, no 8-9, article id e70014
Keywords [en]
dielectric formalism, Fourier-Matsubara expansion, imaginary-time correlation functions, qSTLS scheme, warm dense uniform electron gas
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-364532DOI: 10.1002/ctpp.70014ISI: 001481743700001Scopus ID: 2-s2.0-105004343807OAI: oai:DiVA.org:kth-364532DiVA, id: diva2:1972600
Note

QC 20260123

Available from: 2025-06-18 Created: 2025-06-18 Last updated: 2026-01-23Bibliographically approved

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Tolias, PanagiotisKalkavouras, FotiosLucco Castello, Federico

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