Yazar "Guseinov, II" 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 overlap integrals over Slater-type orbitals using translational and rotational transformations for spherical harmonics
Guseinov, II; Mamedov, BA (Springer-Verlag, 2000)Using translation and rotation formulas for spherical harmonics the finite sums through the basic overlap integrals and spherical harmonics are derived for the arbitrary overlap integrals over Slater-type orbitals (STOs). ... -
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 ... -
Computation of molecular integrals over Slater type orbitals - I. Calculations of overlap integrals using recurrence relations
Guseinov, II; Mamedov, BA (Elsevier Science Bv, 1999)A new algorithm is presented for the calculation of two-center overlap integrals over Slater type orbitals, based on sets of recurrence relations and analytical formulas. The recurrence relations enable us to calculate ... -
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 ... -
Computation of molecular integrals over Slater-type orbitals. III. Calculation of multicenter nuclear-attraction integrals using recurrence relations for overlap integrals
Guseinov, II; Aydin, R; Mamedov, BA (Elsevier Science Bv, 2000)Using recurrence relations for basic overlap integrals two- and three-center nuclear-attraction integrals are calculated for extremely large quantum numbers. The accuracy of the results is quite high for the principal ... -
Computation of molecular integrals over Slater-type orbitals. IV. Calculation of multicenter electron-repulsion integrals using recurrence relations for overlap integrals
Guseinov, II; Mamedov, BA; Aydin, R (Elsevier Science Bv, 2000)Using formulas given by one of the authors [I.I. Guseinov, J. Mel. Struct. (Theochem) 417 (1997) 117], the multicenter electron-repulsion integrals with the arbitrary location and screening constants of Slater-type orbitals ... -
Computation of molecular integrals over Slater-type orbitals. Part VI. Calculation of overlap integrals with the same screening parameters using Gegenbauer coefficients
Guseinov, II; Oztekin, E; Huseyin, S (Elsevier Science Bv, 2001)The overlap integrals with the same screening parameters of Slater-type orbitals were calculated using the Gegenbauer coefficients. The computer results are useful especially for large quantum numbers of overlap integrals, ... -
Computation of molecular integrals over Slater-type orbitals. V. Calculation of multicenter electron-repulsion integrals using auxiliary functions
Guseinov, II; Mamedov, BA (Elsevier Science Bv, 2000)The multicenter electron-repulsion integrals appearing in the Hartree-Fock-Roothaan (HFR) equations for molecules are expressed in terms of the overlap integrals and the basic two-center Coulomb or hybrid integrals by the ... -
Computation of molecular integrals over Slater-type orbitals. VIII. Calculation of overlap integrals with different screening parameters using series expansion formulas for Slater-type orbitals
Guseinov, II; Mamedov, BA; Oner, F; Huseyin, S (Elsevier Science Bv, 2001)Using expansion formulas for the Slater-type orbitals (STOs) obtained by the one of authors [Phys. Rev. A 31 (1985) 2851] the two-center overlap integrals with different screening parameters are expressed through the overlap ... -
Evaluation of the Hubbell radiation rectangular source integral using binomial coefficients
Guseinov, II; Oner, F; Mamedov, BA (Pergamon-Elsevier Science Ltd, 2004)Using binomial coefficients a general series expansion formula is established for the integral I-q(a,b) = integral(0)(a) 1/(1 + b(2) + x(2))(q) dx with integer and noninteger values of g appearing in the evaluation of the ... -
On the calculation of arbitrary multielectron molecular integrals over slater-type orbitals using recurrence relations for overlap integrals. II. Two-center expansion method
Guseinov, II; Mamedov, BA (Wiley-Blackwell, 2001)Using expansion formulas for the charge-density over Slater-type orbitals (STOs) obtained by the one of authors [I. I. Guseinov, J Mol Struct (Theochem) 1997, 417, 117] the multicenter molecular integrals with an arbitrary ... -
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 ...
