Strong influence of decoherence corrections and momentum rescaling in surface hopping dynamics of transition metal complexes
The reliability of different parameters in the surface hopping method is assessed for a vibronic coupling model of a challenging transition metal complex, where a large number of electronic states of different multiplicities are met within a small energy range. In particular, the effect of two decoh...
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| Main Authors: | , , , , , |
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| Format: | Default Article |
| Published: |
2019
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| Subjects: | |
| Online Access: | https://hdl.handle.net/2134/9205748.v1 |
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