Short-range correlation energy of the relativistic homogeneous electron gas

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.

Automated summary

In this study, a complementary short-range correlation relativistic local-density-approximation functional was constructed for use in relativistic range-separated density-functional theory. By performing relativistic random-phase-approximation calculations of the correlation energy of the relativistic homogeneous electron gas, the behavior at high densities was studied and the results were fitted to a parametrized expression. The obtained functional is expected to be useful for electronic-structure calculations of strongly correlated systems containing heavy elements.