Metadata

• 28Si-1H2__CATS.def: "Definitions" file (text format).
• 28Si-1H2__CATS.def.json: "Definitions" file (JSON format).

Spectroscopic Model

CATS: partition function

SiH2 line list CATS obtained using a refined PES and ab initio DMS, computed with TROVE

• 28Si-1H2__CATS.pf
  A CATS partition function, (28Si)(1H)2.

References

1. Clark, V. H. J., Owens, A., Tennyson, J., Yurchenko, S. N., "The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH₂)", Journal of Quantitative Spectroscopy and Radiative Transfer 246, 106929 (2021). [link to article][21ClOwTe.SiH2]

CATS: line list

SiH2 line list CATS obtained using a refined PES and ab initio DMS, computed with TROVE

Show files

References

1. Clark, V. H. J., Owens, A., Tennyson, J., Yurchenko, S. N., "The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH₂)", Journal of Quantitative Spectroscopy and Radiative Transfer 246, 106929 (2021). [link to article][21ClOwTe.SiH2]

CATS: opacity

SiH2 line list CATS obtained using a refined PES and ab initio DMS, computed with TROVE

• 28Si-1H2__CATS.R1000_0.3-50mu.ktable.ARCiS.fits.gz
  ARCiS k-tables at R= 1000 (0.3-50mu) in fits format (gzipped): CATS (28Si)(1H)2 line list.
• 28Si-1H2__CATS.R1000_0.3-50mu.ktable.petitRADTRANS.h5
  petitRADTRANS k-tables at R= 1000 (0.3-50mu) in HDF5 format: CATS (28Si)(1H)2 line list.
• 28Si-1H2__CATS.R1000_0.3-50mu.ktable.NEMESIS.kta
  NEMESIS k-tables at R= 1000 (0.3-50mu) in NEMESIS-kta format: CATS (28Si)(1H)2 line list.
• 28Si-1H2__CATS.R15000_0.3-50mu.xsec.TauREx.h5
  TauREx k-tables at R= 15000 (0.3-50mu) in HDF5 format: CATS (28Si)(1H)2 line list.

References

1. Clark, V. H. J., Owens, A., Tennyson, J., Yurchenko, S. N., "The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH₂)", Journal of Quantitative Spectroscopy and Radiative Transfer 246, 106929 (2021). [link to article][21ClOwTe.SiH2]
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.]

CATS: Specific heat - heat capacity

SiH2 line list CATS obtained using a refined PES and ab initio DMS, computed with TROVE

• 28Si-1H2__CATS.cp
  Heat capacity (specific heat) Cp of (28Si)(1H)2 in 200 K intervals to 2000 K

References

1. Clark, V. H. J., Owens, A., Tennyson, J., Yurchenko, S. N., "The high-temperature rotation-vibration spectrum and rotational clustering of silylene (SiH₂)", Journal of Quantitative Spectroscopy and Radiative Transfer 246, 106929 (2021). [link to article][21ClOwTe.SiH2]

CATS: broadening coefficients

SiH2 line list CATS obtained using a refined PES and ab initio DMS, computed with TROVE

Show files

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).