2005/09/29 by I. I. Guseinov, Guseinov, I. I.
Mathematics · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Mathematical functions and polynomials #Spectral Theory in Mathematical Physics #advanced mathematical theories #physics.chem-ph
paper · pdf · doi:10.48550/arxiv.physics/0509244
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arxiv created 2005/09/29 · openalex publication_date 2005/09/29 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
In a recent paper Ozdogan (Z. Naturforsch, 59a(2004)743) published formulas for evaluating the two-center overlap and nuclear attraction integrals over integer and noninteger Slater type orbitals. The purpose of this article is to point out that the same formulas have previously been established by Guseinov et al. (J.Mol.Model.,8(2002)272) by using the same method. As we demonstrated in our Comment (Int.J.Quantum Chem., 91(2003)62), the expansion formula for the product of two normalized associated Legendre functions in elliptical coordinates and the expansion coefficients presented by Ozdogan are obtained from the use of given in our papers general formulas (I.I.Guseinov, J.Phys.,B,3(1970)1399; Phys.Rev.,A,32(1985)1864; J.Mol.Struct (Theochem),336(1995)17) by changing the summation indices. It should be noted that the published by Ozdogan results are on the use of formulas for the evaluation of multicenter integrals presented in his other papers, which are also obtained from the literature (see, e.g., C.C.J. Roothaan, J.Chem.Phys., 19 (1951) 1445; A.Lofthus, Mol. Phys., 5 (1962) 105) and our articles by changing the summation indices (see Comments: I.I.Guseinov, Commun.Theor.Phys., 38 (2002) 256; Int.J.Quantum Chem., 91 (2003) 62; J.Math.Chem., 36 (2004) 123; J.Chin.Chem.Soc., 51 (2004) 877; J. Chin. Chem. Soc., 51 (2004) 1077; I.I.Guseinov, B.A.Mamedov, Can.J.Phys., 82(2004) 205, p.206).