对Slater型轨道上具有整数和非整数主量子数的双中心单电子分子积分的统一处理的评论
Comment on Unified treatment for two-center one-electron molecular integrals over Slater-type orbitals with integer and noninteger principal quantum numbers
摘要：
Ozdogan（Z. Naturforsch，59 a（2004）743）发表了计算整数和非整数Slater型轨道上的双中心重叠和核吸引积分的公式。这篇文章的目的是指出Guseinov等人（J.Mol.Model.，8（2002）272）中所述。正如我们在我们的评论（Int.J.Quantum Chem.，91（2003）62），在椭圆坐标中的两个归一化关联勒让德函数的乘积的展开公式和由Ozdogan提出的展开系数是从使用我们的论文中给出的一般公式（I. I. Guseinov，J.Phys.，B，3（1970）1399; Phys.Rev.，A，32（1985）1864; J.Mol.Struct（Theochem），336（1995）17）。应该注意的是，Ozdogan发表的结果是关于使用公式来评估他的其他论文中提出的多中心积分，这些论文也是从文献中获得的（参见，例如，C.C.J. Roothaan，J.Chem.Phys.，19（1951）1445; A.Lofthus，Mol.物理、5（1962）105）和我们的文章通过改变求和指数（参见评注：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.美国化学学会，51（2004）1077; I.I.Guseinov，B.A.Mamedov，Can.J.Phys.，82（2004）205，第206页）。
英文摘要：
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).
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