Application of an excited state lda exchange energy functional for the calculation of transition energy of atoms within time-independent density functional theory

摘要

Transition energies of a new class of excited states (two-gap systems) of various atoms are calculated in time-independent density functional formalism by using a recently proposed local density approximation exchange energy functional for excited states. It is shown that the excitation energies calculated with this functional compare well with those calculated with exact exchange theories.