Use of self-friction polynomials in standard convention and auxiliary functions for construction of One-Range addition theorems for noninteger slater type orbitals


Guseinov I. I.

REVISTA MEXICANA DE FISICA, vol.62, no.2, pp.183-187, 2016 (Journal Indexed in SCI) identifier

  • Publication Type: Article / Article
  • Volume: 62 Issue: 2
  • Publication Date: 2016
  • Title of Journal : REVISTA MEXICANA DE FISICA
  • Page Numbers: pp.183-187

Abstract

Using L-(Pl*)-self-friction polynomials (L-(Pl*)-SFPs), complete orthonormal sets of psi((Pl*))-SF exponential type orbitals (psi((Pl*))-SFETOs) in standard convention and Q(q)-integer auxiliary functions (Q(q)-IAFs) introduced by the author, the combined one-and two-center one-range addition theorems for chi-noninteger Slater type orbitals (chi-NISTOs) are established, where p(l)* = 2l + 2 - alpha(*) and alpha(*) is SF quantum number. As an application, the one-center atomic nuclear attraction integrals of chi-NISTOs and V-noninteger Coulombic potential (V-NICPs) are calculated. The obtained formulas can be useful especially in the electronic structure calculations of atoms, molecules and solids.