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

We demonstrate that a minor modification of the extrapolation proposed by Jensen [( 2005): Theor Chem Acc 113: 267] yields very reliable estimates of the Hartree-Fock limit in conjunction with correlation consistent basis sets. Specifically, a two-point extrapolation of the form E-HF,E-L = E(HF,infinity+)A(L+ 1) exp(- 9 root L) yields HF limits E-HF,E-infinity with an RMS error of 0.1 millihartree using aug-cc-pVQZ and aug-cc-pV5Z basis sets, and of 0.01 millihartree using aug-cc-pV5Z and aug-cc-pV6Z basis sets.