First- and second-order reduction factors for E (X) e Jahn-Teller system

Abstract

Analytical expressions for both first- and second-order reduction factors are obtained for orbital doublet systems which are strongly coupled to their surroundings using a recently derived transformation method. The problem is often referred to as the E (X) e Jahn-Teller system. The reduction factors are found from the symmetry-adapted cubic vibronic states, which have been derived in the preceding paper, in the presence of some warping in the potential energy trough. The results for the first-order reduction factors are shown to compare favourably with earlier numerical results, although the configurations are necessarily different. The calculations of the second-order reduction factors appear to be the first of their type for this system. It is shown how they may be used in modelling experimental data involving orbital doublets for E-type uniaxial stresses.