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

  • Laboratoire des Solides Irradiés

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Résumé

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.

langue originaleAnglais
Numéro d'article066404
Pages (de - à)066404/1-066404/4
journalPhysical Review Letters
Volume88
Numéro de publication6
étatPublié - 11 févr. 2002

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