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, cilt.62, ss.366-370, 2015 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 62 Konu: 4
  • Basım Tarihi: 2015
  • Doi Numarası: 10.1002/jccs.201400286
  • Dergi Adı: JOURNAL OF THE CHINESE CHEMICAL SOCIETY
  • Sayfa Sayıları: ss.366-370

Özet

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