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 language | English |
|---|---|
| Article number | 066404 |
| Pages (from-to) | 066404/1-066404/4 |
| Journal | Physical Review Letters |
| Volume | 88 |
| Issue number | 6 |
| Publication status | Published - 11 Feb 2002 |