Journal article
Communication: Kohn-Sham theory for excited states of Coulomb systems
Abstract
For obtaining individual excited-state energies and densities of Coulomb electronic systems, by means of an energy stationary principle, it was shown previously that there exists a universal functional of the density, F(Coul)[ϱ], for the kinetic plus electron-electron repulsion part of the total energy. Here, we make knowledge of the existence of F(Coul)[ϱ] practical for calculation by identifying Ts (Coul)[ϱ], the non-interacting kinetic …
Authors
Ayers PW; Levy M; Nagy Á
Journal
The Journal of Chemical Physics, Vol. 143, No. 19,
Publisher
AIP Publishing
Publication Date
November 21, 2015
DOI
10.1063/1.4934963
ISSN
0021-9606