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- W1799753007 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{this http URL}." @default.
- W1799753007 created "2016-06-24" @default.
- W1799753007 creator A5025008952 @default.
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- W1799753007 creator A5058373808 @default.
- W1799753007 creator A5063788129 @default.
- W1799753007 creator A5080655327 @default.
- W1799753007 creator A5083429693 @default.
- W1799753007 date "2012-03-31" @default.
- W1799753007 modified "2023-09-23" @default.
- W1799753007 title "The rovibrational spectrum of BeH, MgH and CaH at high temperatures in the $X,{}^2Sigma^+$ state: a theoretical study" @default.
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