Abstract
After having reviewed some pioneer integral approximations closely related to Rüdenberg's expansions of one- and two-electron orbital products, we apply the previously described “Implicit Multi-Center Integration” techniques on Roothaan's “restricted” Fock-matrix components over standard atomic orbital bases. The resulting compact forms are very similar to the well-known “Wolfsberg–Helmholz Conjecture” of “Extended-Hückel Theory,” which relates the various off-diagonal matrix elements of “restricted” Fock-type to their corresponding diagonal counterparts. In this way, a “nonempirical Extended-Hückel Theory” can be created. © 2012 Wiley Periodicals, Inc.
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