Reply to Comment on Symbolic Calculation of Two-Center Overlap Integrals Over Slater-Type Orbitals

Details Reply to Comment on Symbolic Calculation of Two-Center Overlap Integrals Over Slater-Type Orbitals Reply to Comment on Symbolic Calculation of Two-Center Overlap Integrals Over Slater-Type Orbitals

2005-12-22

arxiv.org/abs/physics/0512223v1

Journal of the Chinese Chemical Society, 51 (2004) 879-880

Physics

Chemical Physics

1 page

Scientific paper

The comments of Guseinov are critically analyzed. Contrary to his comments, it is pointed out that our formula for two-center overlap integrals over Slater type orbitals have been derived independently, not derived from the earlier works of Guseinov by changing the summation indices. Therefore, our algorithm is original, is not affected from possible instability problems and can be used in large scale calculations without loss of significant figures. Meanwhile, it should be stressed that his comment on the transformation of our formula into his formula proves the correctness of our algorithm and therefore can be regarded as a nice sound of science.

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