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An expansion for four-center integrals over Slater-type orbitals
Authors:Lydia S Salmons  Klaus Ruedenberg
Abstract:A new expression is given for the electron repulsion integral over Slater-type orbitals on four different centers. It is based on the asymptotic expansion derived from the bipolar expansion of a previous paper. The expression has the form equation image where qp = {np, lp, mp}. Both F and σ are closed expressions. The quantity F is a combination of incomplete gamma functions, Laguerre polynomials and spherical harmonics. It depends upon the relative coordinates of a point P on the AB axis and a point Q on the CD axis. The functions σnlm(A, B) depend on the charge distribution (χAχB); they have the character of overlap integrals and are of the form equation image
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