MO 8: Theory: Quantum Chemistry
Tuesday, March 24, 2015, 11:00–13:00, PH/HS1
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11:00 |
MO 8.1 |
Invited Talk:
Novel computational approaches to molecular electronic-structure theory — •Wim Klopper
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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
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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
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12:00 |
MO 8.4 |
Multi-Reference Theoretical Approach to Photoelectron Spectroscopy — •Gilbert Grell, Sergey I. Bokarev, and Oliver Kühn
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12:15 |
MO 8.5 |
Electronic structure calculations of multiple core hole states in molecules — Yajiang Hao, •Ludger Inhester, Sang-Kil Son, and Robin Santra
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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
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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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