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 (11)

• Long-range/short-range separation of the electron-electron interaction in density functional theory
• On the eigenvalues of operators with gaps. Application to Dirac operators
• Local-spin-density functional for multideterminant density functional theory
• Perspective: Essentials of Relativistic Quantum Chemistry
• Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence
• 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
• Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations
• Simple model of the static exchange-correlation kernel of a uniform electron gas with long-range electron-electron interaction
• Four-component relativistic range-separated density-functional theory: Short-range exchange local-density approximation
• Relativistic short-range exchange energy functionals beyond the local-density approximation