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