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Time-dependent exchange-correlation hole and potential of the electron gas
University of Skövde, School of Engineering Science. University of Skövde, Virtual Engineering Research Environment.ORCID iD: 0000-0002-7023-4043
Department of Physics, Division of Mathematical Physics, Lund University, Sweden ; LINXS Institute of advanced Neutron and X-ray Science (LINXS), Sweden.ORCID iD: 0000-0002-8006-7971
2023 (English)In: Physical Review B, ISSN 2469-9950, E-ISSN 2469-9969, Vol. 107, no 11, article id 115172Article in journal (Refereed) Published
Abstract [en]

The exchange-correlation hole and potential of the homogeneous electron gas have been investigated within the random-phase approximation, employing the plasmon-pole approximation for the linear density response function. The angular dependence as well as the time dependence of the exchange-correlation hole are illustrated for a Wigner-Seitz radius rs=4 (atomic unit). It is found that there is a substantial cancellation between exchange and correlation potentials in space and time, analogous to the cancellation of exchange and correlation self-energies. Analysis of the sum rule explains why it is more advantageous to use a noninteracting Green function than a renormalized one when calculating the response function within the random-phase approximation and consequently the self-energy within the well-established GW approximation. The present study provides a starting point for more accurate and comprehensive calculations of the exchange-correlation hole and potential of the electron gas with the aim of constructing a model based on the local density approximation as in density functional theory.

Place, publisher, year, edition, pages
American Physical Society, 2023. Vol. 107, no 11, article id 115172
National Category
Condensed Matter Physics
Research subject
Physics and Mathematics
Identifiers
URN: urn:nbn:se:his:diva-22341DOI: 10.1103/physrevb.107.115172ISI: 000964375300009Scopus ID: 2-s2.0-85152114148OAI: oai:DiVA.org:his-22341DiVA, id: diva2:1747780
Funder
Knut and Alice Wallenberg Foundation, 2017.0061Swedish Research Council, 2021_04498
Note

CC BY 4.0

Financial support from the Knut and Alice Wallenberg (KAW) Foundation (Grant No. 2017.0061) and the Swedish Research Council (Vetenskapsrådet, VR, Grant No. 2021_-04498) is gratefully acknowledged. We thank Rex Godby forvaluable discussions.

Available from: 2023-03-31 Created: 2023-03-31 Last updated: 2023-05-05Bibliographically approved

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Karlsson, Krister

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