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Regensburg 2013 – scientific programme

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O: Fachverband Oberflächenphysik

O 17: Focussed Session: Frontiers of Electronic Structure Theory II (jointly with HL and TT)

Monday, March 11, 2013, 16:00–19:15, H36

16:00 O 17.1 Excited States of the divacancy in SiC — •Michel Bockstedte, Thomas Garratt, and Adam Gali
16:15 O 17.2 Extending the random phase approximation for electronic correlation energies: The renormalized adiabatic local density approximation — •Thomas Olsen
16:30 O 17.3 First-principles IXS spectra for TiO2 and HfO2 — •Linda Hung and Francesco Sottile
16:45 O 17.4 Linear-scaling time dependent density-functional theory in the linear response formalism — •Tim J. Zuehlsdorff, Nicholas D. M. Hine, James S. Spencer, Nicholas M. Harrison, and Peter D. Haynes
17:00 O 17.5 Dynamical spin and charge excitations with spin–orbit coupling in 3d adatoms on Cu(111) and Pt(111) — •Manuel dos Santos Dias, Benedikt Schweflinghaus, and Samir Lounis
17:15 O 17.6 Beyond the GW approximation: a second-order screened exchange correction — •Patrick Rinke, Xinguo Ren, Noa Marom, Fabio Caruso, and Matthias Scheffler
17:30 O 17.7 A strategy for finding a reliable starting point for G0W0 demonstrated for molecules — •Thomas Körzdörfer and Noa Marom
17:45 O 17.8 Electronic properties of isolated and supported organic dyes modeled through the GW method — •Paolo Umari, Filippo De Angelis, Luigi Giacomazzi, Mariachiara Pastore, and Stefano Baroni
  18:00 O 17.9 The contribution has been withdrawn.
18:15 O 17.10 Optical spectra of alkali-metal fluorides — •Christoph Sommer, Peter Krüger, and Johannes Pollmann
18:30 O 17.11 Bethe-Salpeter Equation from many-body perturbation theory — •Tobias Sander, Ronald Starke, and Georg Kresse
18:45 O 17.12 Acceleration of the response function convergence using the effective energy techniques within the ultrasoft pseudopotential and PAW methods — •Jiří Klimeš and Georg Kresse
19:00 O 17.13 SnO: GW band gap of a van der Waals bonded system — •Kirsten Govaerts, Rolando Saniz, Bart Partoens, and Dirk Lamoen
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