Excitonic effects in solids described by time-dependent density-functional theory

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Abstract

A time-dependent density functional theory (TDDFT) equation from the Bethe-Salpeter equation which should be particularly suitable for practical applications to the absorption spectra of solids was derived. It was demonstrated that the static exchange-correlation kernel has a long-range contribution stemming from the electron-hole interaction. It was explained why this long-range contribution is particularly important for the absorption spectra of solids. At the example of bulk silicon, it was shown how a very simple approximation for the kernel can yield excellent agreement between the calculated TDDFT absorption spectrum and experiment.

Original languageEnglish
Article number066404
Pages (from-to)066404/1-066404/4
JournalPhysical Review Letters
Volume88
Issue number6
Publication statusPublished - 11 Feb 2002

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