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, cilt.12, ss.298-301, 2019 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 12
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1016/j.rinp.2018.11.047
  • Dergi Adı: RESULTS IN PHYSICS
  • Sayfa Sayıları: ss.298-301

Özet

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.