exponential type orbitals
Recently Published Documents


TOTAL DOCUMENTS

43
(FIVE YEARS 0)

H-INDEX

12
(FIVE YEARS 0)





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.



Sign in / Sign up

Export Citation Format

Share Document