4.2 Article

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

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IOP Publishing Ltd
DOI: 10.1088/0953-4075/38/20/011

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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.

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