A generalised vibronic-coupling Hamiltonian model for benzopyran

Journal of Chemical Physics

Volumn 140, Issue 4, 2014, Pages

  Joubert Doriol, Loïc ^a   Lasorne, Benjamin ^a   Lauvergnat, David ^b   Meyer, Hans Dieter ^c   Gatti, Fabien ^a  

^a UNIVERSITÉ DE MONTPELLIER   (France)

^b CNRS   (France)

^c UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); MOLECULAR DYNAMICS; MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

ADIABATIC STATE; BORN-OPPENHEIMER APPROXIMATION; COMPLETE ACTIVE SPACE SELF CONSISTENT FIELDS; CURVILINEAR COORDINATE; HAMILTONIAN MODELING; LARGE AMPLITUDE; PHYSICAL INTERPRETATION; VIBRONIC COUPLING;

HAMILTONIANS;

EID: 84902136197     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4861226     Document Type: Article

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