Calculated line list and energy levels for (12C)(1H)4
12C-1H4__YT10to10.pf
[26.4 KB]
Partition function of (12C)(1H)4 in 3 K intervals to 2000 K
References
Yurchenko, S. N., Tennyson, J., "ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K", Monthly Notices of the Royal Astronomical Society440, 1649-1661 (2014). [link to article][14YuTexx.CH4]
YT10to10: program
Calculated line list and energy levels for (12C)(1H)4
ch4.f90
[502.4 KB]
Fortran 90 program to compute the Cartesian dipole moment components and potential energy values of CH4
ch4_par_10to10.inp
[37.8 KB]
Input file for ch4.f90 containing the refined potential and ab initio dipole moment parameters of CH4
README-10to10.txt
[8.8 KB]
Documentation for the YT10to10 CH4 calculated line list and energy levels
References
Yurchenko, S. N., Tennyson, J., Barber, R. J., Thiel, W., "Vibrational transition moments of CH4 from first principles", Journal of Molecular Spectroscopy291, 69-76 (2013). [link to article][13YuTeBa.CH4]
YT10to10: program
Calculated line list and energy levels for (12C)(1H)4
ch4_par_10to10.inp
[37.8 KB]
Input file for ch4.f90 containing the refined potential and ab initio dipole moment parameters of CH4
s_10to10.txt
[2.7 KB]
Explanation of the input format to the s_10to10.f90 program
References
Yurchenko, S. N., Tennyson, J., Barber, R. J., Thiel, W., "Vibrational transition moments of CH4 from first principles", Journal of Molecular Spectroscopy291, 69-76 (2013). [link to article][13YuTeBa.CH4]
YT10to10: line list
Calculated line list and energy levels for (12C)(1H)4
Yurchenko, S. N., Tennyson, J., Barber, R. J., Thiel, W., "Vibrational transition moments of CH4 from first principles", Journal of Molecular Spectroscopy291, 69-76 (2013). [link to article][13YuTeBa.CH4]
Yurchenko, S. N., Tennyson, J., "ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K", Monthly Notices of the Royal Astronomical Society440, 1649-1661 (2014). [link to article][14YuTexx.CH4]
YT10to10: Specific heat - heat capacity
Calculated line list and energy levels for (12C)(1H)4
12C-1H4__YT10to10.cp
[170.9 KB]
Heat capacity (specific heat) Cp of (12C)(1H)4 in 1 K intervals to 2000 K
References
Yurchenko, S. N., Tennyson, J., "ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K", Monthly Notices of the Royal Astronomical Society440, 1649-1661 (2014). [link to article][14YuTexx.CH4]
YT10to10: cooling function
Calculated line list and energy levels for (12C)(1H)4
Yurchenko, S. N., Tennyson, J., "ExoMol line lists IV: The rotation-vibration spectrum of methane up to 1500 K", Monthly Notices of the Royal Astronomical Society440, 1649-1661 (2014). [link to article][14YuTexx.CH4]
Tennyson J., Hulme K., Naim O. K., Yurchenko S. N., "Radiative lifetimes and cooling functions for astrophysically important molecules", Journal of Physics B49, 1-8 (2016). [link to article][16TeHuNa]