Yazar "Orbay, M" için listeleme
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Calculation of arbitrary overlap integrals over type orbitals using basic overlap integrals
Guseinov, II; Mamedov, BA; Orbay, M; Ozdogan, T (Huazhong Univ Sci Tech Press, 2000)The recurrence relations are presented for the calculation of basic overlap integrals, by making use of which other overlap integrals are calculated analytically. These recurrence relations are especially useful for the ... -
Calculation of electric multipole moment integrals using translation formulas for Slater-type orbitals
Guseinov, II; Mamedov, BA; Orbay, M; Ozdogan, T; Rzaeva, AM; Gasanov, AG (Huazhong Univ Sci Tech Press, 2000)Using translation formulas for Slater-type orbitals the infinite series through the overlap integrals are derived for the electric multipole moment integrals. By the use of the derived expressions the electric multipole ... -
Calculation of magnetic multipole moment integrals using translation formulas for Slater-type orbitals
Guseinov, II; Mamedov, BA; Ozdogan, T; Orbay, M (Indian Academy Sciences, 1999)Using translation formulas for Slater type orbitals (STO's) the infinite series through the overlap integrals are derived for the magnetic multipole moment integrals. By the use of the derived expressions the magnetic ... -
Calculation of nuclear-attraction and modified overlap integrals using Gegenbauer coefficients
Oztekin, E; Ozcan, S; Orbay, M; Yavuz, M (John Wiley & Sons Inc, 2002)The modified overlap and nuclear-attraction integrals over Slater-type orbitals are calculated for extremely large quantum numbers using Gegenbauer coefficients and basic overlap integrals. The accuracy of the results is ... -
Calculation of three-center electric and magnetic multipole moment integrals using translation formulas for Slater-type orbitals
Guseinov, II; Mamedov, BA; Orbay, M (Springer-Verlag, 2000)By the use of translation formulas for the expansion of Slater-type orbitals (STOs) in terms of STOs at a new origin, three-center electric and magnetic multipole moment integrals are expressed in terms of two-center ... -
Cartesian expressions for surface and regular solid spherical harmonics using binomial coefficients and its use in the evaluation of multicenter integrals
Ozdogan, T; Orbay, M (Inst Physics Acad Sci Czech Republic, 2002)In this study, we present cartesian expressions for surface and regular solid spherical harmonics using binomial coefficients. The obtained results are useful for the calculation of multicenter molecular integrals, over ... -
Computation of molecular integrals over Slater type orbitals. II. Calculation of electric multipole moment integrals using translation formulas
Guseinov, II; Rzaeva, AM; Mamedov, BA; Orbay, M; Ozdogan, T; Oner, F (Elsevier Science Bv, 1999)Analytical expressions through the overlap integrals are derived for the electric multipole moment integrals over Slater type orbitals. These formulas can be used for the calculation of the 2(nu)-pole electric moments of ... -
Electric multipole moments for some first-row diatomic hydride molecules
Orbay, M; Ozdogan, T (Iop Publishing Ltd, 2001)As an example of the use of the analytical formulas derived for electric multipole moment integrals over STOs in our previous work (I.I. Guseinov, ct al., J. Mel. Struct. (Theochem) 465 (1999) 5), the 2(nu)-pole electric ... -
Evaluation of two-center overlap and nuclear attraction integrals over Slater-type orbitals with integer and noninteger principal quantum numbers
Ozdogan, T; Orbay, M (Wiley, 2002)A general formula has been established for the expansion of the product of two normalized associated Legendre functions centered on the nuclei a and b. This formula has been utilized for the evaluation of two-center overlap ... -
Evaluation of two-center overlap integrals using slater type orbitals in terms of bessel type orbitals
Ozdogan, T; Orbay, M; Degirmenci, S (Springer, 2005)Using the definition of STOs in terms of BTOs, we have presented analytical formula for two-center overlap integrals. The obtained formula contains generalized binomial coefficients and Mulliken integrals A(k) and B-k. ... -
On the computation of molecular auxiliary functions A(n) and B-n
Guseinov, II; Mamedov, BA; Kara, M; Orbay, M (Indian Academy Sciences, 2001)Molecular auxiliary functions A(n)(p) and B-n(pt), arising in the Hartree-Fock-Roothaan (HFR) approximation for molecules, Ewald's crystal lattice theory, electromagnetic stopping theory, and other approximate methods, are ... -
On the evaluation of two-center overlap integrals over integer and noninteger n-Slater-type orbitals
Ozdogan, T; Orbay, M; Gumus, S (Iop Publishing Ltd, 2002)In this study, two-center overlap integrals over Slater-type orbitals (STOs) with integer and noninteger principal quantum numbers in unaligned coordinate systems have been calculated using formulas for overlap integrals ... -
Response to "Comment on 'Electric multipole moments for some first-row diatomic hydride molecules' [Commun. Theor. Phys. 38 (2002) 256]"
Orbay, M; Ozdogan, T (Iop Publishing Ltd, 2003)The comment of Guseinov is irrelevant and also unjust. hi contrast to his comment, we show that the obtained electric multipole moment values for some first-row diatomic molecules are original and better than his values ... -
The symmetry properties of linear combination coefficients for molecular orbitals of diatomic molecules
Orbay, M; Ozdogan, T (Int Academic Publ, 2003)In this paper, the symmetry properties of linear combination coefficients for molecular orbitals of diatomic molecules, using Slater type orbitals, are presented with the help of the symmetry operations in group theory. ... -
A theoretical investigation of DEPTQ NMR spectroscopy for InS spin system (I=1/2, S=1/2)
Ozdogan, T; Orbay, M (Marcel Dekker Inc, 2002)The product operator technique is used for analytical description of multipulse NMR experiments. DEPTQ NMR spectroscopy is the combination of basic DEPT and SEMUT-90 NMR spectroscopy. This study presents the analytical ...
