Unsymmetrical and symmetrical one-range addition theorems for slater type orbitals and Coulomb-Yukawa-like correlated interaction potentials of integer and noninteger indices


Guseinov I. I.

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, vol.7, no.2, pp.257-262, 2008 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 7 Issue: 2
  • Publication Date: 2008
  • Doi Number: 10.1142/s0219633608003691
  • Title of Journal : JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
  • Page Numbers: pp.257-262

Abstract

Using one-center expansion relations for the Slater type orbitals (STOs) of noninteger principal quantum numbers in terms of integer nSTOs derived in this study with the help of psi(a)-exponential type orbitals (psi(a)-ETOs, a = 1, 0,-1,-2, . . .), the general formulas through the integer nSTOs are established for the unsymmetrical and symmetrical one-range addition theorems for STOs and Coulomb-Yukawa-like correlated interaction potentials (CIPs) with integer and noninteger indices. The final results are especially useful for the computations of arbitrary multicenter multielectron integrals that arise in the Hartree-Fock-Roothaan (HFR) approximation and also in the correlated methods based upon the use of STOs as basis functions.