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The study of electron correlation by the determination of configurations of maximum probability is extended to molecular problems in an investigation of the ground states of the first four polyenes. The correlation among pi electrons of the same spin is such that they are most likely to be found near the midpoints of the classical double bonds. Reasons are adduced for extending this result to all the pi electrons, irrespective of spin, and a simple wave function implying this is investigated and shown to give good pi electron energies.
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Dewar et al. (1958) studied this question.
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