Parameter-free exchange potential for excitation in the density-functional theory: Application to excitation energies within the fractional-occupation approach

Á. Nagy
Phys. Rev. A 42, 4388 – Published 1 October 1990
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Abstract

The density-functional theory for ensembles of fractional occupation formulated by Gross, Oliveira, and Kohn [Phys. Rev. A 37, 2821 (1988)] has been applied. The excitation energies of several atoms have been determined using a parameter-free exchange potential of Gáspár [Acta Phys. Hung. 35, 213 (1974)]. The calculated excitation energies are in good agreement with the experimental values.

  • Received 21 March 1990

DOI:https://doi.org/10.1103/PhysRevA.42.4388

©1990 American Physical Society

Authors & Affiliations

Á. Nagy

  • Institute of Theoretical Physics, Kossuth Lajos University, H-4010 Debrecen, Hungary

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Vol. 42, Iss. 7 — October 1990

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