TIME-DEPENDENT KOHN-SHAM FORMALISM

Authors
Citation
A. Gorling, TIME-DEPENDENT KOHN-SHAM FORMALISM, Physical review. A, 55(4), 1997, pp. 2630-2639
Citations number
41
Categorie Soggetti
Physics
Journal title
ISSN journal
10502947
Volume
55
Issue
4
Year of publication
1997
Pages
2630 - 2639
Database
ISI
SICI code
1050-2947(1997)55:4<2630:TKF>2.0.ZU;2-P
Abstract
Within density-functional theory a time-dependent perturbation theory is derived that yields exact orbital-dependent expressions for the tim e-dependent exchange-correlation potential in the form of a perturbati on series. This leads to an exact time-dependent Kohn-Sham scheme base d on perturbation theory. In first order an ''exchange-only'' Kohn-Sha m procedure is obtained, that is a generalization of a recently presen ted time-dependent optimized potential method. The exact, in higher or der, but quite complicated expressions for the exchange-correlation po tential may serve as a starting point for the construction of approxim ate exchange-correlation potentials. An adiabatic connection or coupli ng constant path between a time-dependent physical system and its corr esponding Kohn-Sham system is introduced.