arXiv subjects

I. I. Guseinov

Publications and source records attributed to I. I. Guseinov.

23 records · Page 2Linked to original sources

arXiv2006

Comment on Cartesian expressions for surface and regular solid spherical harmonics using binomial coefficients and its use in the evaluation of multicenter integrals

Recently published formulas for the surface and regular solid spherical harmonics and for the expansion of the product of two normalized associated Legendre functions with different centers in ellipsoidal coordinates (Telhat Ozdogan, Metin Orbay, Czech.J.Phys., 52(2002)1297) are critically analyzed. It is demonstrated that the presented in this work formulas are not original and they are available in the literature or can easily be obtained from the published in the literature formulas by changing the summation indices.

physics.chem-ph↗

arXiv2005

Comment on Formulas and numerical table for the radial part of overlap integrals with the same screening parametres of Slater-type orbitals

Recently published formulas for the calculation of radial part of overlap integrals (E.Oztekin, M.Yavuz, S.Atalay, Theor.Cmem.Acc., (2001), 106, 264) are critically analyzed. It is demonstrated that the presented in this work formulas are not original and they can be easily be obtained from the formulas already established in our papers.

physics.chem-ph↗

arXiv2005

Comment on Unified treatment for the evaluation of arbitrary multielectron multicenter molecular integrals over Slater-type orbitals with noninteger principal quantum numbers

Ozdogan (Int. J. Quantum Chem., 92 (2003) 419) published formulas for evaluating the multielectron multicenter molecular integrals over Slater-type orbitals (STOs). It is demonstrated that the formulas presented in this work are not original and they can easily be derived by means of a simple algebra from the relationship of our published papers (I.I.Guseinov, J.Mol.Struct.(Theochem), 417(1997)117; J.Mol.Struct.(Theochem), 593 (2002) 65; I.I.Guseinov,B.A.Mamedov,F.Oner,S.Huseyin, J.Mol.Struct.(Theochem), 545(2001)265; I.I.Guseinov,B.A.Mamedov, J.Mol.Model., 8(2002)272; Theor.Chem.Acc., 108(2002)21).

physics.chem-ph↗

arXiv2005

Comment on Hartree Fock Roothaan Calculations for Ground States of Some Atoms Using Minimal Basis Sets of Integer and Noninteger n STOs

Recently published formulas for the one-center integrals arising in atomic Hartree-Fock-Roothaan (HFR) calculations with noninteger n STOs (S.Gumus, T. Ozdogan, Chin. J. Chem., 22 (2004) 1262) are critically analyzed. The purpose of this note is to point out that the presented in these work relations for the integer n -nuclear attraction and kinetic energy integrals which are available in the literature (C.C.J. Roothaan, J. Chem. Phys., 19 (1951) 1445) can not be used for noninteger STOs. In addition, the formulas for two-electron integrals can be obtained from the published in the literature (T. Koga, K. Kanayama, Chem.Phys.Let., 266(1997)123; I.I. Guseinov, B.A. Mamedov, Theor. Chem. Acc.,108 (2002) 21) relations by changing the indices. It should be noted that the accuracy of computer values for ground states energy of some closed and open shell atoms in the case of noninteger n STOs is not guaranteed since the calculations were performed by the use of integer n -one electron integrals. It is argued that the paper sheds no new light on the subject and that it is altogether misleading.

physics.chem-ph↗

arXiv2005

Comment on Unified treatment for two-center one-electron molecular integrals over Slater-type orbitals with integer and noninteger principal quantum numbers

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).

physics.chem-ph↗