Short-range correlation energy of the relativistic homogeneous electron gas
Chemical Physics
2021-05-26 v2 Computational Physics
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.
Keywords
Cite
@article{arxiv.2102.07761,
title = {Short-range correlation energy of the relativistic homogeneous electron gas},
author = {Julien Paquier and Julien Toulouse},
journal= {arXiv preprint arXiv:2102.07761},
year = {2021}
}