Heidelberg 2015 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 8: Theory: Quantum Chemistry

Dienstag, 24. März 2015, 11:00–13:00, PH/HS1

11:00 MO 8.1 Hauptvortrag: Novel computational approaches to molecular electronic-structure theory — •Wim Klopper
11:30 MO 8.2 MC-Potfit: Transforming high-dimensional potential energy surfaces into a sum-of-products form using Monte-Carlo methods — •Markus Schröder and Hans-Dieter Meyer
11:45 MO 8.3 A relativistic time-dependent density functional study of the excited states of the group 12 dimers (Zn2-Cn2). — •Ossama Kullie
12:00 MO 8.4 Multi-Reference Theoretical Approach to Photoelectron Spectroscopy — •Gilbert Grell, Sergey I. Bokarev, and Oliver Kühn
12:15 MO 8.5 Electronic structure calculations of multiple core hole states in moleculesYajiang Hao, •Ludger Inhester, Sang-Kil Son, and Robin Santra
12:30 MO 8.6 Population dynamics, decoherence and wave packet splitting: The essential features of non-adiabatic process from a novel trajectory-based quantum-classical method — •Seung Kyu Min, Federica Agostini, and E. K. U. Gross
12:45 MO 8.7 Using ICD for structural analysis of clusters: A case study on NeAr clusters — •Elke Faßhauer, Marko Förstel, Sebastian Pallmann, Markus Pernpointner, and Uwe Hergenhahn
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DPG-Physik > DPG-Verhandlungen > 2015 > Heidelberg