Berlin 2008 – scientific programme
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O: Fachverband Oberflächenphysik
O 26: Methods: Electronic Structure Theory
Tuesday, February 26, 2008, 11:15–12:30, MA 042
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11:15 | O 26.1 | Improved description of correlation energies within an ab-initio framework — •Judith Harl and Georg Kresse |
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11:30 | O 26.2 | Long-range electronic correlation quantified in rare gas/metal adsorption: Xe/Cu(111). — •Mariana Rossi, Xinguo Ren, Andrea Sanfilippo, Paula Havu, Volker Blum, and Matthias Scheffler |
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11:45 | O 26.3 | On the accuracy of DFT exchange-correlation functionals for H bonds in small water clusters: Benchmarks approaching the complete basis set limit — •Biswajit Santra, Angelos Michaelides, and Matthias Scheffler |
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12:00 | O 26.4 | Constrained adiabatic DFT modeling nonadiabatic behavior - simple and effective — •Matthias Timmer and Peter Kratzer |
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12:15 | O 26.5 | Electronic properties of PbTe/CdTe(100) interfaces — •Roman Leitsmann and Friedhelm Bechstedt |