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