Extracting molecular potentials from insufficient spectroscopic information

TL;DR

This paper presents an improved inversion method to accurately extract excited state molecular potentials from limited spectroscopic data by regenerating weak emission lines using a model potential, achieving high precision.

Contribution

The authors extend their inversion technique to handle insufficient data by generating missing spectral lines with a model potential, enhancing the method's robustness and accuracy.

Findings

Error of 0.29 cm$^{-1}$ in the classically allowed region

Global error of 5.67 cm$^{-1}$ for V ≤ E(ν'=10)

Robustness demonstrated against statistical errors

Abstract

We extend our recently developed inversion method to extract excited state potentials from fluorescence line positions and line strengths. We consider a previous limitation of the method arising due to insufficient input data in cases where the relatively weaker emission data are not experimentally available. We develop a solution to this problem by "regenerating" these weak transition lines via applying a model potential, e.g. a Morse potential. The result of this procedure, illustrated for the Q-branch emission from the lowest three vibrational levels of the B($^1 \Pi)$ state of LiRb, is shown to have an error of $0.29$ cm$^{-1}$ in the classically allowed region and a global error of $5.67$ cm$^{-1}$ for $V\le E(\nu'=10)$. The robustness of this procedure is also demonstrated by considering the statistical error in the measured line intensities.