12C16O2 UCL-4000 spectroscopic model

Code used:
TROVE , version j-trove_1603-CO2-minus.x from 19 March 2020

See on GitHub and also the TROVE manual

INPUTS:

12C-16O2__UCL-4000__TROVE.inp

There were four main step inputs into TROVE, used to determine the line list for 12C-16O2.

The TROVE input contains all the refined PES (Ames 2016) and DMS (UCL) parameters as well as the full specification of the basis set. 

ZPE =   2535.876069 cm-1. 

Links

References

  1. Yurchenko, S. N., Mellor, T. M., Freedman, R. S., Tennyson, J., "ExoMol line lists -- XXXIX. Ro-vibrational molecular line list for CO2", Monthly Notices of the Royal Astronomical Society 496, 5282-5291 (2020). [link to article][20YuMeFr.CO2]