TITLE

Basis-set convergence of correlated calculations on water

AUTHOR(S)
Helgaker, Trygve; Klopper, Wim
PUB. DATE
June 1997
SOURCE
Journal of Chemical Physics;6/15/1997, Vol. 106 Issue 23, p9639
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Investigates the basic-set convergence of the electronic correlation energy in the water molecule. Results of the investigation at the Moller-Plesset level; Basis-set limits of the correlation energy; Extrapolation from sequences of calculations using correlation-consistent basis sets.
ACCESSION #
4278713

 

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