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

Publication date: March 2019Source: Results in Physics, Volume 12Author(s): Israfil I. Guseinov, Zekayi Andıç, Bahtiyar A. Mamedov, Nurşen Seçkin GörgünAbstractA combined theory for the overlap integrals of integer and non-integer n χ-Slater type orbitals (χ-ISTO and χ-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.Graphical abstractThe lined-up auxiliary functions theory is applied to the evaluation of overlap integrals. This theory is used for the study of overlap integrals over integer and non-integer n Slater type orbitals.

Source: Results in Physics - December 1, 2018 Category: Physics Source Type: research