Method of Momentum Representation in the Relativistic Jan–Teller Effect Gg[3/2] × (t2g + eg)

Abstract

The relativistic multimode Jahn-Teller effect G_g[3/2] × (t_2g + e_g), which takes place in cubic and octahedral molecular systems containing heavy atoms, is considered. The changeover from to the momentum representation in the vibronic Schrödinger equation, equivalent to the five-dimensional Fourier transform, makes it possible to lower the order of the differential operators, thereby achieving significant simplifications. The main result of this work is a quantum-mechanical calculation of the nonadiabatic transition probability in a system that does not admit a complete separation of the variables in the vibronic Schrödinger equation.