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Approximate switching algorithms for trajectory surface hopping |
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| Authors: | E. Fabiano G. Groenhof W. Thiel |
| Affiliation: | aMax-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany;bDepartment of Theoretical and Computational Biophysics, Max-Planck-Institute for Biophysical Chemistry, Am Fassberg 11, D-37077 Gottingen, Germany |
| Abstract: | |
| Keywords: | Surface hopping Nonadiabatic dynamics Potential-energy surfaces Conical intersections Nonadiabatic coupling terms Semiempirical methods |
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