EXACT EXCHANGE KERNEL FOR TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY

Authors
Citation
A. Gorling, EXACT EXCHANGE KERNEL FOR TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY, International journal of quantum chemistry, 69(3), 1998, pp. 265-277
Citations number
44
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
69
Issue
3
Year of publication
1998
Pages
265 - 277
Database
ISI
SICI code
0020-7608(1998)69:3<265:EEKFTD>2.0.ZU;2-J
Abstract
An exact expression for the exchange kernel of time-dependent density- functional theory, the frequency-dependent functional derivative of th e exchange potential with respect to the density, is derived. The expr ession is simple enough to be applied in practice. A simple and transp arent derivation of the coupled Kohn-Sham equation of time-dependent d ensity-functional theory is given. Modified coupled Kohn-Sham equation s are presented that are especially well suited for an ''exact-exchang e'' treatment of excitation energies, polarizabilities, and other line ar response properties. (C) 1998 John Wiley & Sons, Inc.