Tight-Binding and Hueckel Models of Molecular Clusters

摘要

The background of the theory underlying the tight-binding and Huckel models ofmolecular structure is briefly discussed. A description is then provided for how these methods have been used in cluster research, concentrating first on applications of the tight-binding model to silicon clusters, and then on applications of the Huckel model to metallic clusters. Comments are provided on the relative merits of the two methods. Tight-binding model, Hueckel model, Molecular clusters, Silicon clusters, Metallic clusters. (jg)