Abstract
By introducing a CNDO adapted approximation into an appropriate irreducible interaction part a simple formula for calculation of vertical ionization potentials (VIP's) is derived. The method is applied to the molecules F2, HF, C2F4, CH2F2, BF3, CH3F, CF4.
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Liegener, C.M., Scherz, U. The CNDO approximation in the Green's function method for VIP calculation. Theoret. Chim. Acta 52, 103–111 (1979). https://doi.org/10.1007/BF00634786
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DOI: https://doi.org/10.1007/BF00634786