Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited

  title={Gaussian basis sets for use in correlated molecular calculations. X. The atoms aluminum through argon revisited},
  author={Thom H. Dunning and Kirk A. Peterson and Angela K. Wilson},
  journal={Journal of Chemical Physics},
For molecules containing second row atoms, unacceptable errors have been found in extrapolating dissociation energies calculated with the standard correlation consistent basis sets to the complete basis set limit. By carefully comparing the convergence behavior of De(O2) and De(SO), we show that the cause of these errors is a result of two inter-related problems: near duplication of the exponents in two of the d sets and a lack of high-exponent functions in the early members of the sets… 
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