12C1H4 MM spectroscopic model


Code used: TROVE 2023

See on GitHub and also the TROVE manual. 

INPUTS:

There were four step inputs into TROVE, used to determine the line list, potential energy surface (PES) and dipole moment surface (DMS) for 12C-1H4.

The file 12C-1H4__MM__TROVE-model.inp is one of the input files used containing potential parameters, dipole moment parameters, description of the basis and other configuration details. 

ZPE = 12566.60 cm-1. 

Links

12C-1H4__MM__TROVE-model.inp

References

  1. Yurchenko, S.N., Owens, A., Kefala, K., Tennyson, J., "ExoMol line lists - LVII: High accuracy ro-vibrational line list for methane (CH4)", Monthly Notices of the Royal Astronomical Society (2024).