Including tunneling in non-born-oppenheimer simulations

Journal of Physical Chemistry Letters

Volumn 5, Issue 11, 2014, Pages 2039-2043

  Zheng, Jingjing ^a   Meana Pañeda, Rubén ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

electronically nonadiabatic transition; excited state; mean field methods; molecular dynamics; nonadiabatic trajectory; photobiology; photochemistry

Indexed keywords

EXCITED STATES; MOLECULAR DYNAMICS; PHOTOCHEMICAL REACTIONS; POTENTIAL ENERGY FUNCTIONS; QUANTUM CHEMISTRY; QUANTUM ELECTRONICS;

MEAN-FIELD METHODS; MULTIDIMENSIONAL SIMULATION; NON-ADIABATIC; NON-ADIABATIC PROCESS; NON-ADIABATIC TRANSITIONS; NON-BORN OPPENHEIMER; PHOTOBIOLOGY; SEMI-CLASSICAL APPROXIMATION;

TRAJECTORIES;

EID: 84902106677     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz500653m     Document Type: Article

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