Owens, A., Dooley, S., McLaughlin, L., Tan, B., Zhang, G., Yurchenko, S. N., Tennyson, J., "ExoMol line lists – XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH)", Monthly Notices of the Royal Astronomical Society511, 5448-5461 (2022). [link to article]
XAB: partition function
Calculated line lists, energy levels and partition sums for isotopologues of CaH and MgH
40Ca-1H__XAB.pf
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Partition function for the (40Ca)(1H) isotopologue of CaH in the temperature range 1 - 5000 K
References
Owens, A., Dooley, S., McLaughlin, L., Tan, B., Zhang, G., Yurchenko, S. N., Tennyson, J., "ExoMol line lists – XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH)", Monthly Notices of the Royal Astronomical Society511, 5448-5461 (2022). [link to article]
XAB: Specific heat - heat capacity
Calculated line lists, energy levels and partition sums for isotopologues of CaH and MgH
40Ca-1H__XAB.cp Heat capacity (specific heat) Cp of (40Ca)(1H) in 200 K intervals to 5000 K
References
Owens, A., Dooley, S., McLaughlin, L., Tan, B., Zhang, G., Yurchenko, S. N., Tennyson, J., "ExoMol line lists – XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH)", Monthly Notices of the Royal Astronomical Society511, 5448-5461 (2022). [link to article]
XAB: broadening coefficients
Calculated line lists, energy levels and partition sums for isotopologues of CaH and MgH
40Ca-1H__Ar.broad CaH - Ar pressure broadening parameters (main isotopologue).
40Ca-1H__air.broad CaH - air pressure broadening parameters (main isotopologue).
References
Buldyreva, J., Yurchenko, S.N., Tennyson, J., "Simple semi-classical model of pressure-broadened infrared/microwave linewidths in the temperature range 200-3000 K.", RAS Techniques and Instruments1, 43-47 (2022). [link to article]
Guest, E.R., Tennyson, J., Yurchenko, S.N., "Modelling the Rotational Dependence of Line Broadening using Machine Learning", Journal of Molecular Spectroscopy (2024).
XAB: opacity
Calculated line lists, energy levels and partition sums for isotopologues of CaH and MgH
Owens, A., Dooley, S., McLaughlin, L., Tan, B., Zhang, G., Yurchenko, S. N., Tennyson, J., "ExoMol line lists – XLV. Rovibronic molecular line lists of calcium monohydride (CaH) and magnesium monohydride (MgH)", Monthly Notices of the Royal Astronomical Society511, 5448-5461 (2022). [link to article]