The basis set convergence of the Hartree-Fock energy for H[sub 2]

Jensen, Frank
April 1999
Journal of Chemical Physics;4/8/1999, Vol. 110 Issue 14, p6601
Academic Journal
Illustrates that the Hartree-Fock energy approximation for the hydrogen2 molecule converges exponentially. Influence of the number of basis functions on a given type; Factors that determine the subnanohartree accuracy.


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