Use of Auxiliary Functions in Evaluation of Self-Frictional Overlap Integrals over Noninteger n Slater Type Orbitals

Guseinov I. I., Mamedov B. A.

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, vol.87, no.5, pp.614-616, 2014 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 87 Issue: 5
  • Publication Date: 2014
  • Doi Number: 10.1246/bcsj.20130307
  • Journal Name: BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.614-616
  • Çanakkale Onsekiz Mart University Affiliated: Yes

Abstract

By the use of auxiliary functions with the noninteger indices introduced by one of the authors, the formulas for the S((alpha)*)-self-frictional overlap integrals (S((alpha))*)-SFOIs) of chi-Slater type orbitals with noninteger principal quantum number (chi-NISTOs) are presented, where alpha* is the self-frictional quantum number. The suggested approach guarantees a highly accurate calculation of the S(alpha*)-SFOIs for the arbitrary values of parameters and locations of orbitals.