Pair density functional theory for excited states of Coulomb systems

Abstract

AbstractPair density functional theory is extended to excited states of Coulomb systems. It is shown that the pair density determines the Hamiltonian of the Coulomb system. A universal kinetic energy functional appropriate for the ground and all bound excited states is defined. The Euler equation can be rewritten as a two-particle auxiliary equation in which the unknown Pauli-like potential should be approximated.