The electronic nonadiabatic coupling term: Can it be ignored in dynamic calculations?

Journal of Chemical Physics

Volumn 127, Issue 24, 2007, Pages

  Halasz G J ^a   Vibok A ^a   Suhai, S ^b   Baer, M ^c  

^a UNIVERSITY OF DEBRECEN   (Hungary)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

^c HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC EQUIPMENT; HAMILTONIANS; POTENTIAL ENERGY SURFACES; SCHRODINGER EQUATION;

DYNAMIC CALCULATIONS; ELECTRONIC NONADIABATIC COUPLING;

COUPLING AGENTS;

ACETYLENE;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; ENERGY TRANSFER; QUANTUM THEORY; THERMODYNAMICS;

ACETYLENE; ALGORITHMS; COMPUTER SIMULATION; ELECTRONS; ENERGY TRANSFER; MODELS, CHEMICAL; QUANTUM THEORY; THERMODYNAMICS;

EID: 37549025756     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2806167     Document Type: Article

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