Quantum and quasi-classical dynamics of the OH + CO → H + CO 2 reaction on a new permutationally invariant neural network potential energy surface

Journal of Chemical Physics

Volumn 140, Issue 4, 2014, Pages

  Li, Jun ^a   Chen, Jun ^b   Zhang, Dong H ^b   Guo, Hua ^a  

^a UNIVERSITY OF NEW MEXICO   (United States)

^b DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

CLASSICAL DYNAMICS; CONFIGURATION SPACE; FITTING ERROR; GLOBAL POTENTIAL ENERGY SURFACES; HO-CO SYSTEM; INVARIANT POLYNOMIALS; PERMUTATIONALLY INVARIANT; QUASICLASSICAL TRAJECTORIES;

NEURAL NETWORKS;

EID: 84898074702     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4863138     Document Type: Article

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