(C) "Assigned" line-by-line lists of methane
"Assigned" libe-by-line lists contain the full quantum identification of each spectral line.The lists contain 13 columns and are generated with the format
f12.5,e10.3,1X,I2,I3,2X,A2,2X,I2,1X,I2,I3,2X,A2,2X,I2,3X,A7,1XA7,f12.6
corresponding to
Nu (cm-1) Int (cm/molecule) Plow Jlow Clow nlow Pup Jup Cup nup Vlow Vup Elow (cm-1)
Isotopologue 12CH4
Line-by-line list of 12CH4 at 296K in range 970-1800 cm-1 for Dyad-GS transition (12CH4_GS-dyad_j20_mixed-model_High-Res_list.txt.gz, 88KB);Line-by-line list of 12CH4 at 296K in range 2160-3190 cm-1 for Pentad-GS transition (12CH4_GS-pentad_j20_mixed-model_High-Res_list.txt.gz, 293KB);
#) High-resolution line lists in the Dyad and Pentad randes of 12CH4 were obtained with "mixed abinitio/effective" model as described in
Vl.G. Tyuterev, S.A. Tashkun, M. Rey, R.V. Kochanov, A.V. Nikitin. , and T.Delahaye, Accurate spectroscopic models for methane polyads derived from a potential energy surface using high-order Contact Transformations. J. Phys. Chem. A.,117, 13779-13805 (2013)
using MOL_CT program suite. This new polyad model derived from the NRT PES permitted generating a spectral line lists for the Dyad and
Pentad bands with the accuracy 10-3 - 10-4 cm-1 for line positions combined with ab initio predictions for line intensities.