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

Owens, Alec; Dooley, Sophie; McLaughlin, Luke; Tan, Brandon; Zhang, Guanming; Yurchenko, Sergei N; Tennyson, Jonathan; (2022) ExoMol line lists – XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH). Monthly Notices of the Royal Astronomical Society 10.1093/mnras/stac371. (In press). Green open access

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Abstract

New molecular line lists for calcium monohydride ({40}^Ca^{1}H) New molecular line lists for calcium monohydride ({40}^Ca^{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 XAB, consider transitions involving the X^{2}Σ^{+}, A{2}^Π, and B/B′ {2}^Σ^{+} electronic states in the 0–30 000 cm^{−1} region (wavelengths λ > 0.33 μm) 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, Λ-doubling) and previously published ab initio transition dipole moment curves. Along with Einstein A coefficients, state lifetimes and Landé 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 XAB line lists are available from the ExoMol database at www.exomol.com and the CDS astronomical database.

Type: Article
Title: ExoMol line lists – XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH)
Open access status: An open access version is available from UCL Discovery
DOI: 10.1093/mnras/stac371
Publisher version: https://doi.org/10.1093/mnras/stac371
Language: English
Additional information: © The Author(s) 2022. Published by Oxford University Press on behalf of The Royal Astronomical Society. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/).
Keywords: molecular data, opacity, planets and satellites: atmospheres, stars: atmospheres, ISM: molecules
UCL classification: UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Physics and Astronomy
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL
URI: https://discovery.ucl.ac.uk/id/eprint/10143800
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