Article Dans Une Revue International Journal of Quantum Chemistry Année : 2021

Short‐range correlation energy of the relativistic homogeneous electron gas

Résumé

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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hal-03234781 , version 1 (25-05-2021)

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Julien Paquier, Julien Toulouse. Short‐range correlation energy of the relativistic homogeneous electron gas. International Journal of Quantum Chemistry, 2021, ⟨10.1002/qua.26685⟩. ⟨hal-03234781⟩
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