Generalized Time-Dependent Hartree Theory and the Coupling between Sigma and Pi Electrons

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Abstract
When the potential energy between sigma and pi electrons conserves both sigma and pi electrons, a generalization of time-dependent Hartree theory may be used to obtain all the properties of the coupled sigma—pi system. The susceptibilities of the coupled system are shown to satisfy equations identical to those found in the theory of the spectroscopy of dimers made up of nonequivalent monomers. Fredholm perturbation theory is used to obtain excitation energies and excitation strengths.

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