Rotating Morse wave packet dynamics of diatomic molecule

TL;DR

This paper explores the dynamics of a rotating Morse wave packet in diatomic molecules, analyzing vibrational-rotational coupling through phase space distributions and providing quantitative rotation measures for different angular momenta.

Contribution

It introduces a detailed analysis of vibrational-rotational coupling in diatomic molecules using phase space methods and applies it to the I2 molecule with experimental parameter validation.

Findings

Coupling between vibrational and rotational motions is characterized in phase space.

Rotational angles are quantitatively measured for various angular momenta.

The model aligns well with experimental data for I2 molecule.

Abstract

We investigate the dynamics of a rotating Morse wave packet, appropriate for a ro-vibrating diatomic molecule. The coupling between vibrational and rotational degrees of freedom is explicated in real position space as well as in phase space Wigner distribution of a SU(2) coherent state at various dynamically evolved times. We choose the well studied $I_{2}$ molecule with the parameter values in good agrement with experiments. A quantitative measure of the angles of rotations for different angular momenta is also given.