Revisiting the Quantum Group Symmetry of Diatomic Molecules

TL;DR

This paper introduces a q-deformed model for diatomic molecule vibrations, analyzing its consistency with experimental data and demonstrating how to incorporate both positive and negative anharmonicities systematically.

Contribution

It presents a novel q-deformed approach to model anharmonic vibrations in diatomic molecules, linking theoretical parameters with experimental vibrational data.

Findings

The model fits experimental vibrational data well.

It can systematically include both positive and negative anharmonicities.

The approach offers a new perspective on molecular vibrational symmetry.

Abstract

We propose a q-deformed model of the anharmonic vibrations in diatomic molecules. We analyse the applicability of the model to the phenomenological Dunham's expansion by comparing with experimental data. Our methodology involves a global consistency analysis of the parameters that determine the q-deformed system, when compared with fitted vibrational parameters to 161 electronic states in diatomic molecules. We show how to include both the positive and the negative anharmonicities in a simple and systematic fashion.