Dresden 2014 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 70: Focussed Session: Frontiers of Electronic Structure Theory - Non-equilibrium Phenomena at the Nano-scale VI
O 70.4: Vortrag
Donnerstag, 3. April 2014, 11:30–11:45, TRE Ma
New starting point for the calculation of optical properties — •Igor Reshetnyak1,2 and Lucia Reining1,2 — 1Laboratoire des Solides Irradiés, École Polytechnique, CNRS, CEA-DSM, F-91128 Palaiseau, France — 2European Theoretical Spectroscopy Facility (ETSF)
The Bethe-Salpeter Equation based on Hedin’s GW approximation to the self-energy is a powerful approach for describing electron-hole interactions in optical properties and photo-absorption spectra. However, in its current formulation it is both computationally heavy and displays cancellation effects not accounted for analytically. We discuss the sources of these cancellations and the possibility of putting them forward explicitly. We furthermore assess alternative formulations and sets of approximations to the BSE. For each of them we examine its behavior on model systems as well as their computational applicability. Finally we suggest possible directions for further investigations.