A theoretical study of the strongly coupled T×t Jahn–Teller system

Abstract

We investigate the Jahn–Teller effect for strong coupling between a triply degenerate electronic state and a triply degenerate vibrational mode (T×t). We derive approximate analytical expressions for the lowest energy levels for finite but large coupling constant k, and have calculated the splitting between these levels. Our splitting between the lowest T and A states agrees well with the numerical data. We also have derived approximate analytical expressions for the absorption spectrum for all k. Our spectra are in reasonable agreement with the numerically calculated spectra.