An overview of nonadiabatic dynamics simulations methods, with focus on the direct approach versus the fitting of potential energy surfaces

Theoretical Chemistry Accounts

Volumn 133, Issue 9, 2014, Pages 1-28

  Persico, Maurizio ^a   Granucci, Giovanni ^a  

^a UNIVERSITY OF PISA   (Italy)

Author keywords

Nonadiabatic trajectories; Nonadiabatic wavepackets; On the fly nonadiabatic dynamics; Surface hopping; Theoretical photochemistry

Indexed keywords

EID: 84927731210     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-014-1526-1     Document Type: Article

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