Fourier transform emission spectra of the A2Π→X2Σ+ and B2Σ+→X2Σ+ transitions of CaD

Spectroscopic constants from atomic properties: a machine learning approach

“…In this work, we extend the data set by Liu et al 26,49 by adding the ground state spectroscopic constants of 32 homonuclear and 54 extra heteronuclear diatomic molecules from ref. 56–127. The dataset counts 338 entries based on experimentally determined spectroscopic constants: R e is available for 338, ω e for 327, and D 0 0 is available for 250 molecules.…”

The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres

“…The ExoMol "Yadin" line list for MgH only considers transitions within the X 2 Σ + ground electronic state [94]. MoLLIST provides a rovibronic line list containing A 2 Π -X 2 Σ + and B 2 Σ + -X 2 Σ + transitions due to GharibNezhad et al [151]. Both line lists are included in the ExoMol database; work is in progress on creating a single unified line list which will extend the range of rovibronic transitions considered.…”

“…A number of diatomic species have line lists provided by the MoLLIST website [82]. These have been incorporated into the ExoMol database, which now includes empirically-derived line lists for the following species [83]: CH [139]; NH [140][141][142]; OH [143]; AlCl [144]; AlF [144]; OH + [145,146]; CaF [147]; MgF [148]; KF and NaF [149]; LiCl and LiF [150]; MgH [151]; TiH [152]; CrH [153]; FeH [154]; CP [157]; CN [158]; and CaH [160,161]. See Table 2 for further details.…”

A Neural Network Potential Energy Surface and Quantum Dynamics Study of Ca(1S) + H2(v0 = 0, j0 = 0) → CaH + H Reaction

“…One reason for this is the importance of the spectroscopic characteristics of the CaH molecule in simulating and analyzing astrophysical phenomena, given its prevalence in various interstellar environments. , Commencing with Mulliken’s inaugural spectroscopic study of the CaH molecule in 1925, extensive studies for electronic states, − ro-vibrational states, − and key properties such as the permanent electric dipole moment , of the CaH molecule have been carried out. On the other hand, the CaH molecule has a relatively simple ground-state hyperfine level structure, shorter excited-state lifetimes, and highly diagonal Franck–Condon factors for its X 2 Σ + -A 2 Π 1/2 and B 2 Σ + -A 2 Π 1/2 transitions, , making it well-suited for laser cooling of cold molecules and magneto-optical trapping.…”