A study of coplanar methylene dimerization by complete neglect of differential overlap with configuration interaction
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Doubly degenerate configurations are incorporated to calculate the planar dimerization of methylenes; configuration interaction eliminates the singularities on the potential-energy curve, and the wave function for the lowest state in the presence of methylene interaction indicates that the reaction is allowed if the methylenes are in the3B1 state.
KeywordsMethylene Wave Function Lower State Configuration Interaction Complete Neglect
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