Perturbation corrections to Koopmans' theorem. III. Extension to molecules containing Si, P, S, and Cl and comparison with other methods

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Abstract
The method of ordinary third‐order Rayleigh Schrödinger perturbation theory together with the geometric approximation is used to evaluate the vertical ionization potentials of HCl, H2S, H3P, H4Si, H3SiF, and H3CCl. The ``1 1/2‐zeta'' STO basis set employed permits excellent agreement between theory and experiment to be attained. Computations on H2O, N2, and F2 using GTO basis sets show that the present method is equivalent to the many‐body techniques employed by other workers.