TITLE

The determination of an accurate isotope dependent potential energy surface for water from

AUTHOR(S)
Partridge, Harry; Schwenke, David W.
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/15/1997, Vol. 106 Issue 11, p4618
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Focuses on the determination of a high quality ab initio potential energy surface (PES) and dipole moment function for water. Empirical adjustment of the PES to improve the agreement between the computed line positions; Small changes in the PES including an estaimate of core electron correlation which greatly improves the agreement with the experiment.
ACCESSION #
4163313

 

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