Local-density approximation for exchange energy functional in excited-state density functional theory

Details Local-density approximation for exchange energy functional in excited-state density functional theory Local-density approximation for exchange energy functional in excited-state density functional theory

2006-02-03

arxiv.org/abs/cond-mat/0602064v1

J. Phys. B: At. Mol. Opt. Phys. 38 (2005) 3765 - 3777

Physics

Condensed Matter

Materials Science

Scientific paper

10.1088/0953-4075/38/20/011

An exchange energy functional is proposed and tested for obtaining a class of
excited-state energies using density functional formalism. The functional is
the excited-state counterpart of the local-density approximation functional for
the ground state. It takes care of the state dependence of the energy
functional and leads to highly accurate excitation energies.

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