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 |
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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 |