Abstract
AbstractWe have shown that integrals Irs and Jrs which occur in coupled Hartree–Fock perturbation, on a basis of gauge invariant atomic orbitals with the London approximation and neglect differential overlap, can be reduced, by appropriate transformations, to the overlap integral type. The computational program of Srs, Irs, and Jrs integrals is elaborated for Slater‐type atomic orbitals. The process proposed presents a double advantage: it is extended over the entire Periodical Table and does not use the analytical formulas of Mulliken.
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