An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces
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Title
An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces
Authors
Keywords
On the fly nonadiabatic dynamics, Nonadiabatic wavepackets, Nonadiabatic trajectories, Surface hopping, Theoretical photochemistry
Journal
THEORETICAL CHEMISTRY ACCOUNTS
Volume 133, Issue 9, Pages -
Publisher
Springer Nature
Online
2014-07-09
DOI
10.1007/s00214-014-1526-1
References
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