Generalized trajectory surface-hopping method for internal conversion and intersystem crossing

Journal of Chemical Physics

Volumn 141, Issue 12, 2014, Pages

  Cui, Ganglong ^a   Thiel, Walter ^a  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDES; ELECTRONIC STRUCTURE; HERBICIDES; SPIN ORBIT COUPLING; TRAJECTORIES;

ACETONITRILE SOLUTIONS; COMPLETE ACTIVE SPACE SELF CONSISTENT FIELDS; ELECTRONIC HAMILTONIAN; INTER-SYSTEM CROSSINGS; INTERNAL CONVERSIONS; NON-ADIABATIC PROCESS; PHOTOCHEMICAL PROCESS; TRAJECTORY SURFACE HOPPING;

QUANTUM THEORY;

ACETONITRILE; ACETONITRILE DERIVATIVE; ACROLEIN; SOLVENT;

ALGORITHM; CHEMISTRY; MOLECULAR DYNAMICS; QUANTUM THEORY; VACUUM;

ACETONITRILES; ACROLEIN; ALGORITHMS; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; SOLVENTS; VACUUM;

EID: 84907638323     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4894849     Document Type: Article

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