Extension of the fourfold way for calculation of global diabatic potential energy surfaces of complex, multiarrangement, non-Born-Oppenheimer systems: Application to HNCO(S0, S1)

Journal of Chemical Physics

Volumn 118, Issue 15, 2003, Pages 6816-6829

  Nakamura, Hisao ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; CALCULATIONS; DEFORMATION; ELECTRONIC STRUCTURE; FUNCTIONS; INTERFACIAL ENERGY; MOLECULAR ORIENTATION; POTENTIAL ENERGY; VARIATIONAL TECHNIQUES;

BORN-OPPENHEIMER SYSTEMS; ELECTRONIC WAVE FUNCTIONS; GLOBAL DIABATIC POTENTIAL ENERGY SURFACES; MOLECULAR ORBITALS;

ATOMIC PHYSICS;

EID: 0037623411     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1540622     Document Type: Article

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