Regensburg 2010 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 84: Density functional theory and beyond for real materials IV

Freitag, 26. März 2010, 11:15–13:15, H34

11:15 O 84.1 Evolution of electron traps at ice surface: aggregation of orientational defects — •Michel Bockstedte, Anja Michl, and Angel Rubio
11:30 O 84.2 The role of van der Waals interactions for the cohesive properties of the coinage metals — •Lorenz Romaner, Matthias Scheffler, and Claudia Ambrosch-Draxl
11:45 O 84.3 Ab initio Quantum Monte Carlo: Methods and Applications — •Norbert Nemec, Dario Alfè, and Richard Needs
12:00 O 84.4 Surface Energies of Transition Metals with Density-Functional Theory and beyondAloysius Soon, Bo Li, Martin Fuchs, and •Matthias Scheffler
12:15 O 84.5 Assessing the random phase approximation for weakly bonded molecules — •Xinguo Ren, Patrick Rinke, and Matthias Scheffler
12:30 O 84.6 A simple construction of the GW approximation for molecules — •Dietrich Foerster, Peter Koval, and Olivier Coulaud
12:45 O 84.7 An iterative method for TDDFT of large molecules — •Peter Koval, Dietrich Foerster, and Olivier Coulaud
13:00 O 84.8 Hybrid Functionals within the All-Electron FLAPW Method: Implementation and Applications — •Martin Schlipf, Markus Betzinger, Christoph Friedrich, Marjana Lezaic, and Stefan Blügel
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