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

Abstract

New molecular line lists for calcium monohydride (40Ca1H) and magnesium monohydride (24Mg1H) and its minor isotopologues (25Mg1H and 26Mg1H) are presented. The rotation-vibration-electronic (rovibronic) line lists, named XAB, consider transitions involving the X 2Σ +, A\, 2Π, and B/B′,2Σ + 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 data sets of accurate rovibronic energy levels with measurement uncertainties and consistent quantum number labelling. These data sets 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 LandCrossed D sign