40Ca-16O__VBATHY.states.bz2
[1.4 MB]
Labelled rovibronic states of (40Ca)(16O) with some of the term values substituted with experimental counterparts, if available.
40Ca-16O__VBATHY.abinitio.states.bz2
[1.4 MB]
Labelled rovibronic states of (40Ca)(16O). The state energies are purely those derived from ab initio calculation.
References
Yurchenko, S. N., Blissett, A., Asari, U., Vasilios, M., Hill, C., Tennyson, J., "ExoMol molecular line lists - XIII: The spectrum of CaO", Monthly Notices of the Royal Astronomical Society456, 4524-4532 (2016). [link to article][16YuBlAs.CaO]
Yurchenko, S. N., Blissett, A., Asari, U., Vasilios, M., Hill, C., Tennyson, J., "ExoMol molecular line lists - XIII: The spectrum of CaO", Monthly Notices of the Royal Astronomical Society456, 4524-4532 (2016). [link to article][16YuBlAs.CaO]
Yurchenko, S. N., Blissett, A., Asari, U., Vasilios, M., Hill, C., Tennyson, J., "ExoMol molecular line lists - XIII: The spectrum of CaO", Monthly Notices of the Royal Astronomical Society456, 4524-4532 (2016). [link to article][16YuBlAs.CaO]
Yurchenko, S. N., Blissett, A., Asari, U., Vasilios, M., Hill, C., Tennyson, J., "ExoMol molecular line lists - XIII: The spectrum of CaO", Monthly Notices of the Royal Astronomical Society456, 4524-4532 (2016). [link to article][16YuBlAs.CaO]
Chubb, K. L., Rocchetto, M., Yurchenko, S. N., Min, M., Waldmann, I., Barstow, J. K., Molliere, P., Al-Refaie, A. F, Phillips, M. W., Tennyson, J., "The ExoMolOP database: Cross sections and k-tables for molecules of interest in high-temperature exoplanet atmospheres", Astronomy and Astrophysics646, A21 (2020). [link to article][20ChRoYu.]
VBATHY: Specific heat - heat capacity
An accurate line list for calcium oxide.
40Ca-16O__VBATHY.cp Heat capacity (specific heat) Cp of (40Ca)(16O) in 200 K intervals to 6000 K
References
Yurchenko, S. N., Blissett, A., Asari, U., Vasilios, M., Hill, C., Tennyson, J., "ExoMol molecular line lists - XIII: The spectrum of CaO", Monthly Notices of the Royal Astronomical Society456, 4524-4532 (2016). [link to article][16YuBlAs.CaO]
VBATHY: broadening coefficients
An accurate line list for calcium oxide.
40Ca-16O__Ar.broad CaO - Ar pressure broadening parameters (main isotopologue).
40Ca-16O__CH4.broad CaO - CH4 pressure broadening parameters (main isotopologue).
40Ca-16O__CO2.broad CaO - CO2 pressure broadening parameters (main isotopologue).
40Ca-16O__H2.broad CaO - H2 pressure broadening parameters (main isotopologue).
40Ca-16O__H2O.broad CaO - H2O pressure broadening parameters (main isotopologue).
40Ca-16O__CO.broad CaO - CO pressure broadening parameters (main isotopologue).
40Ca-16O__He.broad CaO - He pressure broadening parameters (main isotopologue).
40Ca-16O__NH3.broad CaO - NH3 pressure broadening parameters (main isotopologue).
40Ca-16O__NO.broad CaO - NO pressure broadening parameters (main isotopologue).
40Ca-16O__O2.broad CaO - O2 pressure broadening parameters (main isotopologue).
40Ca-16O__N2.broad CaO - N2 pressure broadening parameters (main isotopologue).
40Ca-16O__self.broad CaO - self pressure broadening parameters (main isotopologue).
40Ca-16O__air.broad CaO - 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).