Exciting prospects for solids: Exact‐exchange based functionals meet quasiparticle energy calculations

Abstract

Abstract Focussing on spectroscopic aspects of semiconductors and insulators we will illustrate how quasiparticle energy calculations in the G 0 W 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). (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)