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

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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.
19 pages. 2 figures. Submitted to PRA

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http://salesiana.dossiersoluciones.com/handle/123456789/25066

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/cond-mat/0410361
 http://arxiv.org/abs/cond-mat/0410361

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arXiv