Anisotropy and inversion splittings in strongly coupled T⊗t and T⊗(e+t2) Jahn-Teller systems

Publisher Website
Google Scholar
Abstract
A method of studying strongly coupled Jahn-Teller (JT) systems using a unitary transformation and energy minimisation procedure, which was presented earlier by the present authors, is extended to include anisotropic corrections to the ground states of T1(X)t and T1(X)(e+t2) JT systems. The results obtained are interpreted in terms of effective oscillator frequencies. The anisotropic states are then used to obtain analytical expressions for the inversion splittings between the T1 and A2 ground states of T1(X)t JT systems, and between the T1 and T2 ground states of T1(X)(e+t2) JT systems. The effective frequencies and inversion splittings are shown to compare well with those of existing analytical and numerical calculations, especially in regions of moderate coupling.