Accuracy of the energy partitioning data obtained by classical trajectory calculations on potential energy surfaces constructed by interpolation: H2CO→H2 + CO as an example

Journal of Chemical Physics

Volumn 113, Issue 8, 2000, Pages 3098-3103

  Sung, Bong June ^a   Kim, Myung Soo ^a  

^a Seoul National University   (South Korea)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DISSOCIATION; ELECTRON ENERGY LEVELS; INTERPOLATION; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; QUANTUM THEORY;

CLASSICAL TRAJECTORY CALCULATIONS; ENERGY PARTITIONING DATA; HARTREE-FOCK APPROXIMATION; POLYATOMIC DISSOCIATION; POTENTIAL ENERGY SURFACES; QUADRATIC CONFIGURATION INTERACTION SINGLE DOUBLE; QUANTUM CHEMICAL LEVELS; SECOND ORDER MOLLER-PLESSET;

REACTION KINETICS;

EID: 0034702657     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1287326     Document Type: Article

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