Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations
نویسندگان
چکیده
1 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4–6, D-14195 Berlin, Germany 2 European Theoretical Spectroscopy Facility (ETSF) 3 Department of Physics, Yarmouk University, 21163-Irbid, Jordan 4 Max-Planck-Institut für Eisenforschung, Max-Planck-Str. 1, D-40237 Düsseldorf, Germany 5 Department of Chemistry & Biochemistry and 6 Materials Department University of California Santa Barbara, Santa Barbara, CA, USA
منابع مشابه
7 SCIENTIFIC HIGHLIGHT OF THE MONTH: ”Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations” Exciting prospects for solids: Exact-exchange based functionals meet quasiparticle energy calculations
Focussing on spectroscopic aspects of semiconductors and insulators we will illustrate how quasiparticle energy calculations in the G0W0 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 l...
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تاریخ انتشار 2007