2004•arXiv (Cornell University)Open access
An accurate exchange energy functional in excited-state density\n functional theory
Prasanjit Samal, Manoj K. Harbola
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Abstract
An exchange energy functional is proposed and tested for obtaining a class of\nexcited-state energies using density-functional formalism. The functional is\nthe excited-state counterpart of the local-density approximation functional for\nthe ground-state. It takes care of the state-dependence of the energy\nfunctional and leads to highly accurate excitation energies.\n
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