Momentum representation in the relativistic Jahn–Teller effect G_g [3/2] × (t_2g + e_g)

Abstract

Relativistic multi-mode Jahn–Teller effect $G_g\left[3/2\right]\times \left(t_{2g}+e_g\right)$ in cubic and octahedral molecular systems is studied in a momentum representation. In the case under consideration, the momentum representation is equivalent to the five-dimensional Fourier transform the use of which allows to reduce the order of vibronic Schrödinger equation for nuclear amplitudes thus simplifying the analytical treatment. The basic result of this work is a quantum calculation of the non-adiabatic transition probability in the multi-mode vibronic system, which does not allow complete separation of variables.

GRAPHICAL ABSTRACT

Keywords:

• Relativistic Jahn–Teller effect
• vibronic Schrödinger equation
• momentum representation
• potential energy surfaces
• non-adiabatic transition probability

Acknowledgments

This work has been performed under the State program (registration #01201361860).

Disclosure statement

No potential conflict of interest was reported by the authors.

ORCID

V. G. Ushakov  http://orcid.org/0000-0002-4070-0568