Quantum Mechanics of Mobile Electrons in Conjugated Bond Systems. II. Augmented Tight-Binding Formulation
- 1 June 1961
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 34 (6) , 1878-1883
- https://doi.org/10.1063/1.1731786
Abstract
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.Keywords
This publication has 2 references indexed in Scilit:
- Quantum Mechanics of Mobile Electrons in Conjugated Bond Systems. VI. Theoretical Evaluation of Energy ContributionsThe Journal of Chemical Physics, 1961
- Molecular electronic integrals for cyclic systemsJournal of Molecular Spectroscopy, 1961