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Short‐range correlation energy of the relativistic homogeneous electron gas.

Authors :
Paquier, Julien
Toulouse, Julien
Source :
International Journal of Quantum Chemistry. 8/15/2021, Vol. 121 Issue 16, p1-11. 11p.
Publication Year :
2021

Abstract

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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00207608
Volume :
121
Issue :
16
Database :
Academic Search Index
Journal :
International Journal of Quantum Chemistry
Publication Type :
Academic Journal
Accession number :
151432473
Full Text :
https://doi.org/10.1002/qua.26685