A local interpolation scheme using no derivatives in potential sampling: Application to O(1D) + H2 system

Journal of Computational Chemistry

Volumn 24, Issue 9, 2003, Pages 1077-1086

  Ishida, Toshimasa ^a   Schatz, George C ^b  

^a INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^b NORTHWESTERN UNIVERSITY   (United States)

Author keywords

Bayesian approach; H2O; Local interpolation; O(1D); Potential energy surface; Reactive cross section

Indexed keywords

INTERPOLATION; LEAST SQUARES APPROXIMATIONS; POTENTIAL ENERGY; REACTION KINETICS;

BAYESIAN APPROACH;

QUANTUM THEORY;

EID: 0037495958     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10252     Document Type: Article

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