An accurate exchange energy functional in excited-state density functional theory

Details An accurate exchange energy functional in excited-state density functional theory An accurate exchange energy functional in excited-state density functional theory

2004-10-14

arxiv.org/abs/cond-mat/0410361v1

Physics

Condensed Matter

Other Condensed Matter

19 pages. 2 figures. Submitted to PRA

Scientific paper

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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