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arXiv · 2102.07761

Short-range correlation energy of the relativistic homogeneous electron gas

Julien Paquier·Julien Toulouse
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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.

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Julien Paquier, Julien Toulouse. 2021-02-15. Short-range correlation energy of the relativistic homogeneous electron gas. https://doi.org/10.1002/qua.26685

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