Basis-set convergence of correlated calculations on water

Helgaker, Trygve; Klopper, Wim
June 1997
Journal of Chemical Physics;6/15/1997, Vol. 106 Issue 23, p9639
Academic Journal
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.


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