Density Functional Theory of Highly Excited States of Coulomb Systems

Abstract

The density functional theory proposed earlier for excited states of Coulomb systems is discussed. The localized Hartree–Fock (LHF) and the Krieger, Li, and Iafrate (KLI) methods combined with correlation are generalized for excited states. Illustrative examples include some highly excited states of Li and Na atoms.

Keywords

• density functional theory
• Coulomb systems
• excited states