O 46: Density functional theory and beyond for real materials I
Wednesday, March 24, 2010, 10:30–13:15, H34
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10:30 |
O 46.1 |
Structure and magnetism of clean and decorated grain boundaries in nickel — Monika Všianská and •Mojmír Šob
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10:45 |
O 46.2 |
Electron Correlation and the Ferromagnetic Behaviour of Chromium Oxide — •Mallia Giuseppe, John Drain, and Nicholas M. Harrison
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11:00 |
O 46.3 |
Theory of angular resolved X-ray photoelectron spectroscopy in correlated magnetic solids — •Jan Minar, J. Braun, and H. Ebert
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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
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11:30 |
O 46.5 |
A strong correlation study: the paradigmatic case of V2O3 — •Federico Iori
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11:45 |
O 46.6 |
The calculations of the XANES L edges 3d compounds — •Robert Laskowski and Peter Blaha
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12:00 |
O 46.7 |
Optical Absorption and Bound Excitons in MnO, FeO, CoO, and NiO — •Claudia Rödl, Frank Fuchs, and Friedhelm Bechstedt
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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
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12:30 |
O 46.9 |
Time-dependent Kohn-Sham self-interaction correction — •Dirk Hofmann, Thomas Körzdörfer, and Stephan Kümmel
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12:45 |
O 46.10 |
Electronic excitations in nanostructures: an empirical pseudopotential based approach — •Gabriel Bester
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13:00 |
O 46.11 |
Time dependent hybrid density functional calculations on semiconductor nanocrystallites — Marton Voros and •Adam Gali
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