Yazar "Yukcu, N." için listeleme
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Calculation of electric multipole moment integrals with the different screening parameters via the Fourier transform method
Yukcu, N.; Senlik, I.; Oztekin, E. (Wiley, 2012)Three-center electric multipole moment integrals over Slater-type orbitals (STOs) can be evaluated by translating the orbitals on one center to the other and reducing the system to an expansion of two-center integrals. ... -
Computation of Overlap Integrals over STOs with Mathematica
Yukcu, S. A.; Yukcu, N. (Amer Inst Physics, 2017)Overlap integrals which encountered in molecular stnicture calculations are the most basic of molecular integrals. Also, other molecular integrals can be expressed in terms of these integrals. Overlap integrals can be ... -
Fourier transform of hydrogen-type atomic orbitals
Yukcu, N.; Yukcu, S. A. (Canadian Science Publishing, Nrc Research Press, 2018)Hydrogen-type atomic orbitals (HTOs) are an important type of exponential-type orbital. These orbitals have some mathematical properties and they are used usually in the theoretical atomic and molecular investigations as ... -
Numerical Evaluation of Two-Center Integrals over Slater Type Orbitals
Kurt, S. A.; Yukcu, N. (Amer Inst Physics, 2016)Slater Type Orbitals (STOs) which one of the types of exponential type orbitals (ETOs) are used usually as basis functions in the multicenter molecular integrals to better understand physical and chemical properties of ... -
Reducing and Solving Electric Multipole Moment Integrals
Yukcu, N.; Oztekin, E. (Elsevier Academic Press Inc, 2013)Electric multipole moment integrals with the same screening parameters are calculated using Slater type orbitals (STOs) translation formulae and the Fourier transform method. First, multipole moment operators which appear ...
