Le Couplage Vibronique dans une Chaine Linéaire de Molecules Etudié par une Méthode Auto-Cohérente

✍ Scribed by A. Tallet; M. Garcia-Sucre; Et R. Lefebvre

• Publisher: John Wiley and Sons
• Year: 1970
• Tongue: English
• Weight: 602 KB
• Volume: 4
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560040406

✦ Synopsis

Abstract

We describe the correlation diagram of a linear crystal, in the traditional framework of the vibronic coupling. All lattice normal modes, except the symmetrical mode, are coupled to the excitation transfer. We therefore propose an iterative method, where every mode “sees” an effective coupling arising from the interaction of the other modes with the electronic excitation. This method is applied to a simple case (the pentamer) and the results are compared with the exact solution. In the weak coupling case this procedure gives the vibronic band structure and in the strong coupling case, the electronic band accompanied by vibrational excitations. These results show that the method employed represents an interpolation approach.