Short‐range correlation energy of the relativistic homogeneous electron gas
In: ISSN: 0020-7608, 2021
Online
academicJournal
Zugriff:
International audience ; We construct the complementary short-range correlation relativistic local-density-approximation functional to be used in relativistic range-separated density-functional theory based on a Dirac-Coulomb Hamiltonian in the no-pair approximation. For this, we perform relativistic random-phase-approximation calculations of the correlation energy of the relativistic homogeneous electron gas with a modified electron-electron interaction, we study the high-density behavior, and fit the results to a parametrized expression. The obtained functional should eventually be useful for electronic-structure calculations of strongly correlated systems containing heavy elements.
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Short‐range correlation energy of the relativistic homogeneous electron gas
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Autor/in / Beteiligte Person: | Paquier, Julien ; Toulouse, Julien ; Laboratoire de chimie théorique (LCT) ; Institut de Chimie du CNRS (INC)-Sorbonne Université (SU)-Centre National de la Recherche Scientifique (CNRS) ; Institut Universitaire de France (IUF) ; Ministère de l'Education nationale, de l’Enseignement supérieur et de la Recherche (M.E.N.E.S.R.) |
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Zeitschrift: | ISSN: 0020-7608, 2021 |
Veröffentlichung: | HAL CCSD ; Wiley, 2021 |
Medientyp: | academicJournal |
DOI: | 10.1002/qua.26685 |
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