O 84: Density functional theory and beyond for real materials IV
Friday, March 26, 2010, 11:15–13:15, H34
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11:15 |
O 84.1 |
Evolution of electron traps at ice surface: aggregation of orientational defects — •Michel Bockstedte, Anja Michl, and Angel Rubio
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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
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11:45 |
O 84.3 |
Ab initio Quantum Monte Carlo: Methods and Applications — •Norbert Nemec, Dario Alfè, and Richard Needs
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12:00 |
O 84.4 |
Surface Energies of Transition Metals with Density-Functional Theory and beyond — Aloysius Soon, Bo Li, Martin Fuchs, and •Matthias Scheffler
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12:15 |
O 84.5 |
Assessing the random phase approximation for weakly bonded molecules — •Xinguo Ren, Patrick Rinke, and Matthias Scheffler
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12:30 |
O 84.6 |
A simple construction of the GW approximation for molecules — •Dietrich Foerster, Peter Koval, and Olivier Coulaud
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12:45 |
O 84.7 |
An iterative method for TDDFT of large molecules — •Peter Koval, Dietrich Foerster, and Olivier Coulaud
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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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