Yazar "Mamedov, Bahtiyar A." seçeneğine göre listele

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    Analytical evaluation of two-center Franck-Condon overlap integrals over harmonic oscillator wave function
    (Walter De Gruyter Gmbh, 2006) Guseinov, Israfil Isa; Mamedov, Bahtiyar A.; Ekenoglu, Arife S.
    A unified treatment of Franck-Condon (FC) overlap integrals with arbitrary values of parameters is described. These integrals are represented in terms of binomial coefficients. For quick calculations, the binomial coefficients are stored in the memory of the computer. Therefore, the CPU time has been greatly reduced. Numerical results presented agree excellently with those obtained in the literature.
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    On the accurate evaluation of overlap integrals over slater type orbitals using analytical and recurrence relations
    (Walter De Gruyter Gmbh, 2007) Guseinov, Israfil Isa; Mamedov, Bahtiyar A.
    In this study, using the analytical and recurrence relations suggested by the authors in previous works, the new efficient and reliable program procedure for the overlap integrals over Slater type orbitals is presented. The proposed procedure guarantees a highly accurate evaluation of the overlap integrals with arbitrary values of quantum numbers, screening constants and internuclear distances. It is demonstrated that the computational accuracy of the proposed procedure is not only dependent on the efficiency of formulas, as has been discussed previously, but also on a number of other factors including the used program language package and solvent properties. The numerical results obtained, using the algorithm described in the present work, are in complete agreement with those obtained using the alternative evaluation procedure. We notice that the program works without any restrictions and in all ranges of integral parameters.
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    Use of Auxiliary Functions in Evaluation of Self-Frictional Overlap Integrals over Noninteger n Slater Type Orbitals
    (Chemical Soc Japan, 2014) Guseinov, Israfil Isa; Mamedov, Bahtiyar A.
    By the use of auxiliary functions with the noninteger indices introduced by one of the authors, the formulas for the S((alpha)*)-self-frictional overlap integrals (S((alpha))*)-SFOIs) of chi-Slater type orbitals with noninteger principal quantum number (chi-NISTOs) are presented, where alpha* is the self-frictional quantum number. The suggested approach guarantees a highly accurate calculation of the S(alpha*)-SFOIs for the arbitrary values of parameters and locations of orbitals.
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    Use of lined-up auxiliary functions in the evaluation of overlap integrals over integer and non-integer n Slater type orbitals
    (Elsevier, 2019) Guseinov, Israfil Isa; Andic, Zekayi; Mamedov, Bahtiyar A.; Gorgun, Nursen Seckin
    A combined theory for the overlap integrals of integer and non-integer n chi-Slater type orbitals (chi-ISTO and chi-NISTO) is presented. This approach is based on the use of lined-up auxiliary functions introduced by one of the authors. The suggested theory guarantees a highly accurate calculation of the overlap integrals for the arbitrary values of quantum numbers and locations of orbitals.