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WORLD SCIENTIFIC eBooks

TEN TOPICAL QUESTIONS IN TIME-DEPENDENT DENSITY FUNCTIONAL THEORY

Neepa T. Maitra, Kieron Burke, Heiko Appel, Eberhard K. U. Gross, Robert van Leeuwen

Published Dec 1, 2002• 25 citations
Publisher
DOI
10.1142/9789812775702_0040

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International Journal of Modern Physics B•Mar 20, 2004•2 citations
We derive a simplified Bethe–Salpeter equation for calculating optical absorption based on the assumption of a local electron–hole interaction. The original four-point equation for the kernel is reduced to a two-point one. A connection to the exchange–correlation kernel in time-dependent density functional theory can be established. The resulting fxc is found to be -W/2 where W contains only the short-range (local) part of the Coulomb screened interaction. This simple approximation was successfully applied to optical absorption spectra of some excitonic crystals, reproducing not only the continuum excitons but also the bound ones.