Short-range correlation energy of the relativistic homogeneous electron gas

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.

References in corpus (4)

• On the eigenvalues of operators with gaps. Application to Dirac operators
• Perspective: Essentials of Relativistic Quantum Chemistry
• Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density
• Basis convergence of range-separated density-functional theory