Use of Ψα-ETOs in the unified treatment of electronic attraction, electric field and electric field gradient multicenter integrals of screened Coulomb potentials over Slater orbitals

@article{Guseinov2004UseO,
  title={Use of Ψα-ETOs in the unified treatment of electronic attraction, electric field and electric field gradient multicenter integrals of screened Coulomb potentials over Slater orbitals},
  author={I. I. Guseinov},
  journal={Journal of Molecular Modeling},
  year={2004},
  volume={10},
  pages={19-24}
}
In this study, using complete orthonormal sets of Ψα-ETOs (where α=1, 0, −1, −2, ...)introduced by the author, a large number of series expansion formulae for the multicenter electronic attraction (EA), electric field (EF) and electric field gradient (EFG) integrals of the Yukawa-like screened Coulomb potentials (SCPs) is presented through the new central and noncentral potentials and the overlap integrals with the same screening constants. The final results obtained are valid for arbitrary… CONTINUE READING