Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9575278 | Chemical Physics | 2005 | 4 Pages |
Abstract
By the use of complete orthonormal sets of Ψα - exponential type orbitals (Ψα - ETOs, α = 1,0,â1,â2,â¦) and auxiliary functions QNNâ²q introduced in our previous paper [I.I. Guseinov, J. Phys. B, 3 (1970) 1399] the multicenter electronic attraction, electric field and electric field gradient integrals of nonscreened and Yukawa-like screened Coulomb potentials over integer and noninteger n Slater type orbitals are evaluated. These integrals are expressed through the two-center overlap integrals with the same screening constants and the new central and noncentral potential functions depending upon the auxiliary functions QNNâ²q. The convergence of the series is tested by calculating concrete cases.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
I.I. Guseinov, B.A. Mamedov,