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

Prasanjit Samal and Manoj K Harbola

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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.


PACS

31.15.E- Density-functional theory

31.10.+z Theory of electronic structure, electronic transitions, and chemical binding

Subjects

Atomic and molecular physics

Computational physics

Dates

Issue 20 (28 October 2005)

Received 9 June 2005, in final form 8 September 2005

Published 3 October 2005



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