28Si1H4 OY2T spectroscopic model


Code used:

TROVE 

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 28Si-1H4__OY2T.model is an example of the input file used for intenisites. 

Zero point energy (ZPE) = 6847.85 cm-1

The potential energy function can be reconstructed using the following files

28Si-1H4__OY2T__PES.f90 - Fortran f90 code for PES of SiH4.

28Si-1H4__OY2T__PES.inp - an input file for PES of SiH4.with the actual refined parameters of SiH4. 

Links

28Si-1H4__OY2T.model 28Si-1H4__OY2T__PES.f90 28Si-1H4__OY2T__PES.inp

References

  1. Owens, A., Yachmenev, A., Thiel, W., Tennyson, J., Yurchenko, S. N., "ExoMol line lists - XXII. The rotation-vibration spectrum of silane up to 1200 K", Monthly Notices of the Royal Astronomical Society 471, 5025-5032 (2017). [link to article][17OwYaTh.SiH4]