Variational study of the linear Jahn-Teller effect: Case of an electronic doublet interacting with a doubly degenerate vibration.

Abstract

A variational study of the linear E-e Jahn-Teller effect, in which an electronic doublet interacts with a doubly degenerate vibration, has been performed using a simple correlated trial ground-state wave function\char21{}a correlated squeezed state. Our calculated variational ground-state energies are not only in good agreement with the exact diagonalization results, but they are also better than those from earlier analytical studies. This seems to suggest that the linear E-e Jahn-Teller system favors a strongly correlated squeezed ground state.