An initial value representation semiclassical approach for the study of molecular systems with geometric constraints

Journal of Chemical Physics

Volumn 118, Issue 11, 2003, Pages 4791-4806

  Harland, Ben B ^a   Roy, Pierre Nicholas ^a  

^a UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); DIFFERENTIAL EQUATIONS; ELECTRON ENERGY LEVELS; FOURIER TRANSFORMS; HAMILTONIANS; HYDROGEN BONDS; INTEGRAL EQUATIONS; MATHEMATICAL MODELS; MATRIX ALGEBRA; MOLECULES; QUANTUM THEORY; WATER;

HERMAN-KLUK PREFACTOR; HESSIAN MATRIX; INITIAL VALUE REPRESENTATION SEMICLASSICAL APPROACH; MOLECULAR SYSTEMS;

MOLECULAR DYNAMICS;

EID: 0037444506     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1545772     Document Type: Article

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