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We demonstrate that a minor modification of the extrapolation proposed byJensen [(2005): Theor Chem Acc 113:267] yields very reliable estimates of theHartree-Fock limit in conjunction with correlation consistent basis sets.Specifically, a two-point extrapolation of the form$E_{HF,L}=E_{HF,\infty}+A(L+1)\exp(-9\sqrt{L})$ yields HF limits$E_{HF,\infty}$ with an RMS error of 0.1 millihartree using aug-cc-pVQZ andaug-cc-pV5Z basis sets, and of 0.01 millihartree using aug-cc-pV5Z andaug-cc-pV6Z basis sets.Comment: Theoretical Chemistry Accounts, in pres

Comment on: “Estimating the Hartree–Fock limit from finite basis set calculations” [Jensen F (2005) Theor Chem Acc 113:267]