Use of lined-up auxiliary functions in the evaluation of overlap integrals over integer and non-integer n Slater type orbitals


Guseinov I. I. , Andic Z., Mamedov B. A. , SEÇKİN GÖRGÜN N.

RESULTS IN PHYSICS, vol.12, pp.298-301, 2019 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 12
  • Publication Date: 2019
  • Doi Number: 10.1016/j.rinp.2018.11.047
  • Title of Journal : RESULTS IN PHYSICS
  • Page Numbers: pp.298-301

Abstract

A combined theory for the overlap integrals of integer and non-integer n chi-Slater type orbitals (chi-ISTO and chi-NISTO) is presented. This approach is based on the use of lined-up auxiliary functions introduced by one of the authors. The suggested theory guarantees a highly accurate calculation of the overlap integrals for the arbitrary values of quantum numbers and locations of orbitals.