Assigning signs to the electronic nonadiabatic coupling terms: The {H 2,O} system as a case study

Journal of Chemical Physics

Volumn 122, Issue 13, 2005, Pages

  Vibók, Ágnes ^a   Halász, Gábor J ^a   Suhai, Sándor ^b   Baer, Michael ^a  

^a UNIVERSITY OF DEBRECEN   (Hungary)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EXCITED STATES; NONADIABATIC COUPLING TERMS (NACT); NUMERICAL STUDY; NUMERICAL TREATMENT;

INTEGRATION; MATHEMATICAL MODELS; MATRIX ALGEBRA; NUMERICAL ANALYSIS; THEOREM PROVING;

WATER;

EID: 24144432123     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1867438     Document Type: Article

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