ISSN:
0020-7608
Keywords:
exchange kernel
;
coupled Kohn-Sham
;
density functional theory
;
linear response
;
excitations
;
polarizability
;
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
An exact expression for the exchange kernel of time-dependent density-functional theory, the frequency-dependent functional derivative of the exchange potential with respect to the density, is derived. The expression is simple enough to be applied in practice. A simple and transparent derivation of the coupled Kohn-Sham equation of time-dependent density-functional theory is given. Modified coupled Kohn-Sham equations are presented that are especially well suited for an “exact-exchange” treatment of excitation energies, polarizabilities, and other linear response properties. © 1998 John Wiley & Sons, Inc. Int J Quant Chem 69: 265-277, 1998
Type of Medium:
Electronic Resource
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