, Volume 13, Issue 9, pp 949-950
Date: 05 Jul 2007

Comment on “numerical treatment of two-center overlap integrals”

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Abstract

The subject paper by H. Safouhi (J Mol Model 12:213–220, 2006) presents a scheme based on a nonlinear convergence acceleration transformation for the numerical evaluation of two-center overlap integrals of Slater-type orbitals. In this comment we argue that there is no reason to adopt such an approach, as well-known methods for these integrals are substantially superior both in speed and in accuracy.