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Exchange-correlation kernel in time-dependent density functional theory derived from many-body theory
University of Skövde, School of Life Sciences.ORCID iD: 0000-0002-7023-4043
Research Institute for Computational Sciences, AIST Tsukuba Central 2, Umezono 1-1-1, Tsukuba Ibaraki 305-8568, Japan.
2004 (English)In: International Journal of Modern Physics B, ISSN 0217-9792, Vol. 18, no 7, p. 1055-1067Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
World Scientific, 2004. Vol. 18, no 7, p. 1055-1067
Keywords [en]
Bethe-Salpeter equation (BSE), Excitonic effects, Optical absorption, Time-dependent density functional theory (TDDFT)
Research subject
Natural sciences
Identifiers
URN: urn:nbn:se:his:diva-1988DOI: 10.1142/S0217979204024537ISI: 000222288100009Scopus ID: 2-s2.0-3042563865OAI: oai:DiVA.org:his-1988DiVA, id: diva2:32264
Available from: 2007-07-02 Created: 2007-07-02 Last updated: 2017-12-12Bibliographically approved

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Karlsson, Krister

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