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B..1.8 Karton-Martin extrapolation of HF energies

The two-point formula for extrapolating the HF reference energy, as proposed by A. Karton and J. M. L. Martin, Theor. Chem. Acc. 115, 330 (2006) has been added: $E_{\rm HF,n}=E_{\rm HF,CBS} +A (n+1)\cdot \exp(-9 \sqrt{n})$. Use METHOD_R=KM for this.



molpro@molpro.net 2012-02-09