The rovibrational spectrum of BeH, MgH and CaH at high temperatures in the $X{}^2{\Sigma }^{+}$ state: a theoretical study

Abstract

Accurate line lists for three molecules, BeH, MgH and CaH, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 2000K). A combination of empirical and \textit{ab initio} methods is used. The rovibrational energy levels of BeH, MgH and CaH are computed using the programs Level and DPotFit in conjunction with `spectroscopic' potential energy curves (PECs). The PEC of BeH is taken from the literature, while the PECs of CaH and MgH are generated by fitting to the experimental transition energy levels. Both spin-rotation interactions (except for BeH, for which it is negligible) and non-adiabatic corrections are explicitly taken into account. Accurate line intensities are generated using newly computed \textit{ab initio} dipole moment curves for each molecule using high levels of theory. Full line lists of rotation-vibration transitions for ${}^9$BeH, ${}^{24}$MgH, ${}^{25}$MgH, ${}^{26}$MgH and ${}^{40}$CaH are made available in an electronic form as supplementary data to this article and at \url{www.exomol.com}.

arXiv commentMNRAS (in press)

References in corpus (9)

• The Limiting Effects of Dust in Brown Dwarf Model Atmospheres
• Identifying Young Brown Dwarfs Using Gravity-Sensitive Spectral Features
• The Spectra of T Dwarfs. II. Red Optical Data
• Magnesium isotopic abundance ratios in cool stars
• The Molecular Line Opacity of MgH in Cool Stellar Atmospheres
• The Molecular Continuum Opacity of MgH in Cool Stellar Atmospheres
• Faint M-dwarfs and the structure of the Galactic disk
• The electronic bands of CrD, CrH, MgD and MgH: application to the "deuterium test"
• First polarimetric measurements and modeling of the Paschen-Back effect in CaH transitions

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