Abstract
A method for approximating hybrid and exchange integrals over atomic orbitals is discussed and examined in detail for the case of Slater-type orbitals (STO'S). The crux of the approximation is the least-squares projection of 2-center charge distributions onto suitably chosen 1-center charge distributions. The approximate integrals are thus linear combinations of Coulomb-type integrals, and are generated at a rate of ∼150/sec on a CDC 1604A computer. The method is employed in an SCF MO study of benzene and several of its ions.
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