Bandstruktur von Polymeren mit konjugierten Bindungen II. Bandstruktur der p-Polyphenylea / Band Structure of Polymers with Conjugated Bonds: II. Band Structure of p-Polyphenyls

Abstract

Abstract It is shown that the energy gap for any arbitrary homonuclear alternant system is given by the expression where ⊿corr is the correlation correction, and ⊿geom and ⊿top are factors respectively determined by the geometry and the topology of the molecule. For the infinite p-polyphenyls the correlation correction ⊿corr equals to zero; this means that the width of the energy gap depends only on the topology and geometry of the system.