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, cilt.87, ss.614-616, 2014 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 87 Konu: 5
  • Basım Tarihi: 2014
  • Doi Numarası: 10.1246/bcsj.20130307
  • Dergi Adı: BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN
  • Sayfa Sayıları: ss.614-616

Özet

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.