TITLE

Distributed approximating functional fit of the H[sub 3] ab initio potential-energy data of Liu

AUTHOR(S)
Frishman, Anatoli; Hoffman, David K.
PUB. DATE
July 1997
SOURCE
Journal of Chemical Physics;7/15/1997, Vol. 107 Issue 3, p804
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Reports on a distributed approximating functional (DAF) fit of the ab initio potential-energy surface data. Basis of the DAF-fit procedure on a variational principle; Occurrence of adjustable parameters in the DAF leading to a fit which is both accurate and smooth; Demonstrations of the exercise.
ACCESSION #
4278768

 

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