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).
| Original language | English |
|---|---|
| Pages (from-to) | 929-945 |
| Number of pages | 17 |
| Journal | Physica Status Solidi (B) Basic Research |
| Volume | 245 |
| Issue number | 5 |
| DOIs | |
| State | Published - May 2008 |
| Externally published | Yes |
Fingerprint
Dive into the research topics of 'Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations'. Together they form a unique fingerprint.Cite this
- APA
- Author
- BIBTEX
- Harvard
- Standard
- RIS
- Vancouver