14N1H3 CoYuTe spectroscopic model

Code used:

TROVE, version j-trove2609.x (2018)

See on GitHub and also the TROVE manual

Input:

The startting input file for TROVE contains potential energy surface (PES) and dipole moment surface (DMS) parameters for 14N-1H3.

Implementation notes:

New spectroscopically determined potential energy surface and an ab initio dipole moment surface were used. The line list was computed variationally using the program suite TROVE, comprising 16.9 billion transitions between 5095730 energy levels, all below 23 000 cm-1, and for all Js up to J = 40. 

Zero-point-energy is 8017.62 cm-1. 

Links

References

  1. Coles, P. A., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists – XXXV. A rotation-vibration line list for hot ammonia", Monthly Notices of the Royal Astronomical Society 490, 4638-4647 (2019). [link to article][19CoYuTe.NH3]