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Fermi-Amaldi model for exchange-correlation:...
Journal article

Fermi-Amaldi model for exchange-correlation: atomic excitation energies from orbital energy differences

Abstract

Motivated by recent work on asymptotic correct exchange-correlation potentials, this paper investigates properties of the Fermi-Amaldi model for the exchange-correlation potential. It compares atomic excitation energies for Hydrogen through Argon to orbital energy differences computed using the exact Kohn-Sham potential and the Fermi-Amaldi approximation to the Kohn-Sham potential. While the Fermi-Amaldi model is not a particularly good model …

Authors

* PWA; Morrison RC; Parr RG

Journal

Molecular Physics, Vol. 103, No. 15-16, pp. 2061–2072

Publisher

Taylor & Francis

Publication Date

August 10, 2005

DOI

10.1080/00268970500130183

ISSN

0026-8976