Ground state in E ⊗ e Jahn-Teller and Renner-Teller systems: Account of nonadiabaticity.

Abstract

The ground and lower excited states of an E⊗e Jahn-Teller system with linear and quadratic vibronic coupling are considered, taking nonadiabaticity into account. Our calculations confirm a common opinion that in the case of a weak quadratic coupling, the ground state is doubly degenerate and the first excited state is nondegenerate for any linear coupling. However, with increasing quadratic coupling for weak linear coupling, the nondegenerate state becomes the ground state. The values of vibronic parameters are found at which the ground state changes.