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Local-density approximation for exchange energy functional in excited-state density 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 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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Prasanjit Samal, Manoj K. Harbola. 2006-02-03. Local-density approximation for exchange energy functional in excited-state density functional theory. https://doi.org/10.1088/0953-4075%2F38%2F20%2F011

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