The OYT3 dataset for 28Si16O2: partition functions

Metadata

Spectroscopic Model

28Si-16O2__OYT3.model

OYT3: line list

SiO2 line list OYT3 obtained using ab initio PES and DMS, computed with TROVE

References

  1. Owens, A., Conway, E. K., Tennyson, J., Yurchenko, S. N., "ExoMol line lists - XXXVIII. High-temperature molecular line list of silicon dioxide (SiO2)", Monthly Notices of the Royal Astronomical Society 495, 1927-1933 (2020). [link to article][20OwCoTe.SiO2]

OYT3: partition function

SiO2 line list OYT3 obtained using ab initio PES and DMS, computed with TROVE

References

  1. Owens, A., Conway, E. K., Tennyson, J., Yurchenko, S. N., "ExoMol line lists - XXXVIII. High-temperature molecular line list of silicon dioxide (SiO2)", Monthly Notices of the Royal Astronomical Society 495, 1927-1933 (2020). [link to article][20OwCoTe.SiO2]

OYT3: super-line

SiO2 line list OYT3 obtained using ab initio PES and DMS, computed with TROVE

References

  1. Owens, A., Conway, E. K., Tennyson, J., Yurchenko, S. N., "ExoMol line lists - XXXVIII. High-temperature molecular line list of silicon dioxide (SiO2)", Monthly Notices of the Royal Astronomical Society 495, 1927-1933 (2020). [link to article][20OwCoTe.SiO2]

OYT3: opacity

SiO2 line list OYT3 obtained using ab initio PES and DMS, computed with TROVE

References

  1. Owens, A., Conway, E. K., Tennyson, J., Yurchenko, S. N., "ExoMol line lists - XXXVIII. High-temperature molecular line list of silicon dioxide (SiO2)", Monthly Notices of the Royal Astronomical Society 495, 1927-1933 (2020). [link to article][20OwCoTe.SiO2]
  2. 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 Astrophysics 646, A21 (2020). [link to article][20ChRoYu.]

OYT3: Specific heat - heat capacity

SiO2 line list OYT3 obtained using ab initio PES and DMS, computed with TROVE

  • 28Si-16O2__OYT3.cp
    Heat capacity (specific heat) Cp of (28Si)(16O)2 in 200 K intervals to 3000 K

References

  1. Owens, A., Conway, E. K., Tennyson, J., Yurchenko, S. N., "ExoMol line lists - XXXVIII. High-temperature molecular line list of silicon dioxide (SiO2)", Monthly Notices of the Royal Astronomical Society 495, 1927-1933 (2020). [link to article][20OwCoTe.SiO2]

OYT3: broadening coefficients

SiO2 line list OYT3 obtained using ab initio PES and DMS, computed with TROVE

References

  1. 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 Instruments 1, 43-47 (2022). [link to article]
  2. Guest, E.R., Tennyson, J., Yurchenko, S.N., "Modelling the Rotational Dependence of Line Broadening using Machine Learning", Journal of Molecular Spectroscopy (2024).