Vibronic reduction factors of the excited states in the E

Abstract

Extensive numerical studies of the vibronic eigenstates in the case when an orbital doublet state is coupled linearly and nonlinearly to an e vibrational mode with cubic symmetry have been made. For a fixed value of the linear Jahn-Teller coupling in the strong-coupling region, the effects of the quadratic Jahn-Teller coupling on the vibronic properties, such as Ham's reduction factors or the reduction factors for vibrational angular-momentum operators, have been studied. At a critical value of the quadratic Jahn-Teller coupling coefficient, where the behavior of near-level crossing in the excited E states has been seen, the abrupt change of Ham's reduction factor and the fluctuations in both the admixture coefficient and the reduction factor for the vibrational angular-momentum operator have been found in the excited E state. Similar effects of the lowest-order anharmonic term on the vibronic reduction factors have been found.