Comment on "numerical treatment of two-center overlap integrals".
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.
Harris
Frank E
FE
Department of Physics, University of Utah, Salt Lake City, UT 84112, USA. harris@qtp.ufl.edu
D000465:Algorithms; D003198:Computer Simulation; D004583:Electrons; D008956:Models, Chemical; D011789:Quantum Theory