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A semiempirical theory of vibrational and electronic reciprocation, in both degenerate and nondegenerate electronic states, is developed under the assumptions that (1) a molecule may be accurately described by the adiabatic approximation; (2) solutions of the electronic and vibrational SCHRÖ-DINGER equations for some fixed molecular conformation are available; (3) the electronic wave functions may be analytically continued to vicinal geometries; (4) the power series expansion of the electronic wave functions and HAMILTONian operator, in terms of nuclear displacements, may be truncated at degree two; and (5) first order perturbation theory is applicable.

Interaction of the Vibrational and Electronic Motions in Some Simple Conjugated Hydrocarbons: Part III A Semiempirical Formulation