Self-consistent perturbation theory for interacting electron systems

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Abstract
The self-consistent perturbation theory of the preceding paper is simplified for the use in semi-empirical valence-shell SCF calculations. The validity and limitations of the procedure are tested for the combination of two methylene moieties to ethylene by comparing the numerical results of the perturbation treatment with valence-shell calculations of elongated ethylene. The application to the cycloaddition of the unconjugated dienophile cyclopropene to cyclopentadiene yields qualitative and quantitative information about the factors determining the stereochemical course of such additions, a hitherto poorly understood aspect of the Diels-Alder reaction.