nuclear attraction
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2021 ◽  
Vol 103 (1) ◽  
Author(s):  
Shen Yang ◽  
Xiang Dong Sun ◽  
Jing Geng ◽  
Bao Yuan Sun ◽  
Wen Hui Long

2017 ◽  
Vol 16 (02) ◽  
pp. 1750017
Author(s):  
Israfil I. Guseinov ◽  
Gurkan Demirdak

Using complete orthogonal [Formula: see text]-Self-Friction Polynomials ([Formula: see text]-SFPs) introduced by one of the authors, the analytical and power series formulas for SF atomic nuclear attraction integrals over [Formula: see text]-noninteger Slater type orbitals ([Formula: see text]-NISTOs) and [Formula: see text]-noninteger Coulomb–Yukawa-like potentials ([Formula: see text]-NICYPs) are presented, where [Formula: see text] are the integer ([Formula: see text] or noninteger ([Formula: see text] SF quantum numbers and [Formula: see text]. As an application, the computer calculations for dependence of the atomic nuclear attraction integrals over [Formula: see text]-NISTOs and [Formula: see text]-NICYPs functions are presented.


2017 ◽  
Vol 2017 ◽  
pp. 1-6 ◽  
Author(s):  
Ebru Çopuroğlu

We have proposed a new approach to evaluate self-friction (SF) three-center nuclear attraction integrals over integer and noninteger Slater type orbitals (STOs) by using Guseinov one-range addition theorem in standard convention. A complete orthonormal set of Guseinov ψα exponential type orbitals (ψα-ETOs, α=2,1,0,-1,-2,…) has been used to obtain the analytical expressions. The overlap integrals with noninteger quantum numbers occurring in SF three-center nuclear attraction integrals have been evaluated using Qnsq auxiliary functions. The accuracy of obtained formulas is satisfactory for arbitrary integer and noninteger principal quantum numbers.


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