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 |
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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 |