Regensburg 2010 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 46: Density functional theory and beyond for real materials I

Mittwoch, 24. März 2010, 10:30–13:15, H34

10:30 O 46.1 Structure and magnetism of clean and decorated grain boundaries in nickelMonika Všianská and •Mojmír Šob
10:45 O 46.2 Electron Correlation and the Ferromagnetic Behaviour of Chromium Oxide — •Mallia Giuseppe, John Drain, and Nicholas M. Harrison
11:00 O 46.3 Theory of angular resolved X-ray photoelectron spectroscopy in correlated magnetic solids — •Jan Minar, J. Braun, and H. Ebert
11:15 O 46.4 LDA+DMFT calculations of x-ray absorption and x-ray circular dichroism spectra: Role of valence-band correlations — •Ondrej Sipr, Jan Minar, Antonin Simunek, and Hubert Ebert
11:30 O 46.5 A strong correlation study: the paradigmatic case of V2O3 — •Federico Iori
11:45 O 46.6 The calculations of the XANES L edges 3d compounds — •Robert Laskowski and Peter Blaha
12:00 O 46.7 Optical Absorption and Bound Excitons in MnO, FeO, CoO, and NiO — •Claudia Rödl, Frank Fuchs, and Friedhelm Bechstedt
12:15 O 46.8 CO adsorption on transition metal surfaces applying the random phase approximation — •Laurids Schimka, Judith Harl, Alessandro Stroppa, Andreas Grüneis, Martijn Marsman, Florian Mittendorfer, and Georg Kresse
12:30 O 46.9 Time-dependent Kohn-Sham self-interaction correction — •Dirk Hofmann, Thomas Körzdörfer, and Stephan Kümmel
12:45 O 46.10 Electronic excitations in nanostructures: an empirical pseudopotential based approach — •Gabriel Bester
13:00 O 46.11 Time dependent hybrid density functional calculations on semiconductor nanocrystallitesMarton Voros and •Adam Gali
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