15N1H3 CoYuTe-15 spectroscopic model

Code used:

TROVE 2022 , see on GitHub and also the TROVE manual. 

ZPE = 8001.42 cm-1.

Input:

There are four step inputs into TROVE, used to determine the line list, potential energy surface (PES) and dipole moment surface (DMS) for NH3.

The files *__step1-4.inp are provided. These files also include the PES and DMS.

Implementation notes:

The spectroscopically determined PES CoYuTe and an ab initio dipole moment surface of NH3 were used. The line list was computed variationally using the program suite TROVEfor all Js up to J = 30.

Links

15N-1H3__CoYuTe-15__TROVE__step1.model 15N-1H3__CoYuTe-15__TROVE__step2.model 15N-1H3__CoYuTe-15__TROVE__step3__J1.model 15N-1H3__CoYuTe-15__TROVE__step4__J1-2.model

References

  1. Yurchenko, S.N., Bowesman, C.A., Brady, R.P., Guest, E.R., Kefala, K., Mitev, G.B., Owens, A., Perri, A.N., Pezzella, M., Smola, O., Solokov, A. Zhang, J., Tennyson, J., "ExoMol line lists - LX. Molecular line list for the ammonia isotopologue 15NH3", Monthly Notices of the Royal Astronomical Society In press.