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Short-range correlation energy of the relativistic homogeneous electron gas

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arxiv 2102.07761 v2 pith:LARYXDGA submitted 2021-02-15 physics.chem-ph physics.comp-ph

Short-range correlation energy of the relativistic homogeneous electron gas

classification physics.chem-ph physics.comp-ph
keywords relativisticcorrelationcalculationselectronenergyfunctionalhomogeneousshort-range
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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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