12C32S JnK spectroscopic model

Code used:

LEVEL 8.0

INPUT:

Level8.0 input file for 12C-32S JnK data set; /db/CS/12C-32S/JnK?12C-32S__LEVEL8.0.inp

Implementation notes:

New potential energy and dipole moment curves (PEC,DMC) were not generated. Spectroscopically-determined PEC and DMC are taken from literature. This PEC is adapted to suit our method prior to the computation of ro-vibrational energies. The ab initio DMC is used without refinement to generate Einstein A coefficients. 

Revision notes:

The original CS ExoMol line lists of Paulose et al. computed using LEVEL have been truncated by removing transitions with Δv ≥ 9. 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. Paulose, G., Barton, E. J., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists – XII. Line lists for eight isotopologues of CS", Monthly Notices of the Royal Astronomical Society 454, 1931-1939 (2015). [link to article][15PaBaYu.CS]
  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]