Abstract
Focussing on spectroscopic aspects of semiconductors and insulators we will illustrate how quasiparticle energy calculations in the G0W 0 approximation can be successfully combined with density-functional theory calculations in the exact-exchange optimised effective potential approach (OEPx) to achieve a first principles description of the electronic structure that overcomes the limitations of local- or gradient-corrected DFT functionals (LDA and GGA).
| Originalsprache | Englisch |
|---|---|
| Seiten (von - bis) | 929-945 |
| Seitenumfang | 17 |
| Fachzeitschrift | Physica Status Solidi (B) Basic Research |
| Jahrgang | 245 |
| Ausgabenummer | 5 |
| DOIs | |
| Publikationsstatus | Veröffentlicht - Mai 2008 |
| Extern publiziert | Ja |