ExoMol line lists -- XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH)

TL;DR

This paper presents new comprehensive rovibronic line lists for CaH and MgH molecules, combining experimental data and theoretical models to improve accuracy for astrophysical applications up to 5000 K.

Contribution

The study provides the first extensive, empirically-refined rovibronic line lists for CaH and MgH, integrating experimental data with ab initio calculations for improved accuracy.

Findings

Line lists cover 0-30,000 cm$^{-1}$ region for temperatures up to 5000 K.

Includes Einstein A coefficients, lifetimes, and Landé g-factors.

Replaces computed energy levels with empirical values when available.

Abstract

New molecular line lists for calcium monohydride ($^{40}$Ca$^{1}$H) and magnesium monohydride ($^{24}$Mg$^{1}$H) and its minor isotopologues ($^{25}$Mg$^{1}$H and $^{26}$Mg$^{1}$H) are presented. The rotation-vibration-electronic (rovibronic) line lists, named \texttt{XAB}, consider transitions involving the \X, \A, and \BBp\ electronic states in the 0--30\,000~cm$^{-1}$ region (wavelengths $\lambda > 0.33$~$\mu$m) and are suitable for temperatures up to 5000 K. A comprehensive analysis of the published spectroscopic literature on CaH and MgH is used to obtain new extensive datasets of accurate rovibronic energy levels with measurement uncertainties and consistent quantum number labelling. These datasets are used to produce new spectroscopic models for CaH and MgH, composed of newly empirically-refined potential energy curves and couplings in/between the different electronic states (e.g.\ spin-orbit, electronic angular momentum, Born-Oppenheimer breakdown, spin-rotation, $\Lambda$-doubling) and previously published \textit{ab initio} transition dipole moment curves. Along with Einstein $A$ coefficients, state lifetimes and Land\'e $g$-factors are provided, the latter being particularly useful as CaH and MgH can be used to probe stellar magnetic fields. Computed energy levels have been replaced with the more accurate empirical values (if available) when post-processing the line lists, thus tailoring the line lists to high resolution applications. The \texttt{XAB} line lists are available from the ExoMol database at http://www.exomol.com and the CDS astronomical database.