Use of Auxiliary Functions for Construction of Series Expansion Relations of Noninteger Slater Functions in Standard Convention


Guseinov I. I.

JOURNAL OF THE CHINESE CHEMICAL SOCIETY, vol.62, no.4, pp.366-370, 2015 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 62 Issue: 4
  • Publication Date: 2015
  • Doi Number: 10.1002/jccs.201400286
  • Title of Journal : JOURNAL OF THE CHINESE CHEMICAL SOCIETY
  • Page Numbers: pp.366-370

Abstract

Using complete orthonormal sets of psi((alpha*))-self-frictional exponential type orbitals (psi((alpha*))-SFETOs) and Q(q)-noninteger auxiliary functions (Q(q)-NIAFs) introduced by the author, the combined formulas for the one- and two-center one-range addition theorems of chi-noninteger Slater type orbitals (chi-NISTOs) with arbitrary values of distances between centers R-ab (for R-ab = 0 and R-ab not equal 0), and of integer (for alpha*=alpha, -infinity