E. Oztekin et al., Formulas and numerical table for the radial part of overlap integrals withthe same screening parameters of Slater-type orbitals, THEOR CH AC, 106(4), 2001, pp. 264-270
The numerical properties of the radial part of overlap integrals with the s
ame screening parameters in the form of polynomials in p = xiR over Slater-
type orbitals have been studied and obtained by using three different metho
ds. For that purpose, the characteristics of auxiliary functions were used
first, then Fourier transform convolution theorem, and recurrence relations
for the basic coefficients of A(nl lambda ,n'l'lambda)(s) were used. The c
alculations of the radial part of overlap integrals with the same screening
parameters were made in the range 1 less than or equal to n less than or e
qual to 75, 1 less than or equal to n' less than or equal to 75, and 10(-6)
less than or equal to p.