Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine

Author:

Xie Weiwei123ORCID,Sapunar Marin4ORCID,Došlić Nađa4ORCID,Sala Matthieu5,Domcke Wolfgang1ORCID

Affiliation:

1. Department of Chemistry, Technical University of Munich, Lichtenbergstr. 4, 85747 Garching, Germany

2. Institute of Biological Interfaces (IBG-2), Karlsruhe Institute of Technology, 76131 Karlsruhe, Germany

3. Institute of Physical Chemistry, Karlsruhe Institute of Technology, Kaiserstr. 12, 76131 Karlsruhe, Germany

4. Department of Physical Chemistry, Ruđer Bošković Institute, HR-10000 Zagreb, Croatia

5. Laboratoire Interdisciplinaire Carnot de Bourgogne UMR 6303 CNRS, Université de Bourgogne, BP 47870, F-21078 Dijon, France and Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel, Olshausenstr. 40, D-24098 Kiel, Germany

Funder

Deutsche Forschungsgemeinschaft

Hrvatska Zaklada za Znanost

Alexander von Humboldt-Stiftung

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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