Reduction factors for strongly coupled orbital triplet Jahn-Teller systems I. T⊗e and T⊗t Jahn-Teller systems

Abstract

A method of studying strongly coupled Jahn-Teller (JT) systems involving a unitary transformation and energy minimisation procedure is used to obtain analytical expressions for the first- and second-order reduction factor of T(X)e and T(X)t JT systems. The results obtained for T(X)e JT systems are found to be identical to those of previous calculations. The values of the resulting expressions for the first-order reduction factors in T(X)t JT systems are compared to those of existing numerical calculations. The effect of anisotropy on the first-order T(X)t reduction factors will also be investigated.