Stuttgart 2012 –
wissenschaftliches Programm
MO 18: Molecular Dynamics
Donnerstag, 15. März 2012, 14:00–16:00, V38.02
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14:00 |
MO 18.1 |
Hauptvortrag:
Excited-states and nonadiabatic dynamics: unveiling mechanistic aspects of ultrafast photoprocesses in nucleobases — •Mario Barbatti
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14:30 |
MO 18.2 |
Improvements to the Instanton Method: Tunneling in Large Systems — •Judith B. Rommel and Johannes Kästner
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14:45 |
MO 18.3 |
Fragmentation of the protonated water dimer via non-adiabatic pathways after valence photoionization — •Zheng Li, Oriol Vendrell, and Robin Santra
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15:00 |
MO 18.4 |
Ultrafast Dynamics of Photoionized molecules — •Mohamed El-Amine Madjet, Oriol Vendrell, and Robin Santra
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15:15 |
MO 18.5 |
Multi reference perturbation theory for non-adiabatic on-the-fly molecular dynamics: implementation and benchmarking — •Sven Oesterling, Artur Nenov, Benjamin P. Fingerhut, and Regina de Vivie-Riedle
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15:30 |
MO 18.6 |
Surface hopping from accurate quantum-classical correspondence — •Sebastian Möbius, Sebastian Wüster, Milan Sindelka, Alexander Eisfeld, and Jan Micheal Rost
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15:45 |
MO 18.7 |
(contribution withdrawn) Semiclassical Wigner propagation as a numerical tool in molecular dynamics — •Sergei D. Ivanov, Thomas Dittrich, and Dominik Marx
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