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 originale | Anglais |
|---|---|
| Numéro d'article | 066404 |
| Pages (de - à) | 066404/1-066404/4 |
| journal | Physical Review Letters |
| Volume | 88 |
| Numéro de publication | 6 |
| état | Publié - 11 févr. 2002 |
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