Non-adiabatic dynamics using time-dependent density functional theory: Assessing the coupling strengths

Journal of Molecular Structure: THEOCHEM

Volumn 914, Issue 1-3, 2009, Pages 22-29

  Tavernelli, Ivano ^a   Tapavicza, Enrico ^a   Rothlisberger, Ursula ^a  

^a EPFL   (Switzerland)

Author keywords

Non adiabatic couplings; Non adiabatic dynamics; Protonated formaldimine; Surface hopping; TDDFT molecular dynamics

Indexed keywords

EID: 70349753171     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2009.04.020     Document Type: Article

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