Journal article
Time-independent density-functional theory for excited states of Coulomb systems
Abstract
A Coulomb density is special because it determines not only its Hamiltonian but the degree of excitation as well. We derive Euler equations for excited-state energies and densities that depend only on the electron density. Unlike existing formulations, additional functions and indices are not required; with these functionals, the equations of excited-state density functional theory strongly resemble those of ground-state theory. A critical …
Authors
Ayers PW; Levy M; Nagy A
Journal
Physical Review A, Vol. 85, No. 4,
Publisher
American Physical Society (APS)
Publication Date
April 1, 2012
DOI
10.1103/physreva.85.042518
ISSN
2469-9926