The classical problem of the extent of Rydberg−valence mixing for the V state of ethylene is re-examined using a large basis set and several different approaches to selecting configurations. The results are interpreted in terms of the general need for dynamic σ-π correlation in π-electron systems. The effect of dynamic correlation on the activation energy of the Cope rearrangement is especially noted.
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Ernest R. Davidson (1996) studied this question.
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