Quantum Mechanics of Mobile Electrons in Conjugated Bond Systems. II. Augmented Tight-Binding Formulation

The analysis of homonuclear conjugated systems, which has been given within the limits of the tight-binding approximation in the first paper of this series, is extended to include the interactions between non-neighbor atoms and the variation in the interactions between neighbor atoms. Both kinds of interactions are included as perturbation effects on the tight-binding approximation. As a consequence, the formalism developed for the latter is not being complicated and the interpretations remain unchanged. Application to benzene and naphthalene illustrates the approach.