28Si18O EBJT spectroscopic model

Code used:

LEVEL 8.0

INPUT:

The Level file 28Si-16O__EBJT__LEVEL8.0.inp, was used to create the line list for 28Si-18O. This file is for the parent isotopologue 28Si-16O but it was altered for this isotopologue.

Implementation notes:

The potential energy curves (PEC) for the isotpologues are dertermined, to high accuracy, by fitting to extensive data obtained from the analusis of both laboratory and sunspot spectra. A high-quality ab initio dipole moment curve (DMC) is calculated at the large basis set, multireference configuration interaction level.

Revision Notes:

The original SiO ExoMol line lists of Barton et al. computed using LEVEL have been truncated by removing transitions with Δv ≥ 6. This is due to a numerical problem identified by Medvedev and co-workers with the intensities of high overtone transitions computed with LEVEL.

Links

References

  1. Barton, E. J., Yurchenko, S. N., Tennyson, J., "ExoMol line lists - II. The ro-vibrational spectrum of SiO", Monthly Notices of the Royal Astronomical Society 434, 1469-1475 (2013). [link to article][13BaYuTe.SiO]
  2. Medvedev, E. S., Meshkov, V. V., Stolyarov, A. V., Gordon, I. E., "Peculiarities of high-overtone transition probabilities in carbon monoxide revealed by high-precision calculation", Journal of Chemical Physics 143, 154301 (2015). [link to article][15MeMeSt.CO]