Total internal partition sums for the HITRAN2020 database

Abstract

Total internal partition sums (TIPS) are reported for the 181 isotopologues of 57 molecules important in planetary atmospheres. Molecules 1 to 55, with the exception of #34 atomic oxygen, are taken from the HITRAN2020 list, and for some molecules additional isotopologues are considered. Molecules 56 and 57 are C3H4, CH3, respectively. New to TIPS are the calculations for 12CH4, 13CH4, 12CH3D, 13CH3D, 14N16O, 15N16O, 14N18O, 16O32S18O, 33S16O2, 15N16O2, 18OH, 16OD, 35Cl16O, 37Cl16O, 16O13C34S, 32S19F6, 12C2H5D, 12C2H3D, 12C19F4, 12CH319F, 70GeH4, 72GeH4, 73GeH4, 74GeH4, 76GeH4, 12CH3127I, 13CH3127I, and 14N19F3. In addition, all the molecules/isotopologues that were not recalculated for TIPS2017 (Gamache et al., JQSRT 203, 70, 2017) have been recalculated using the 2014 CODATA physical constants. The TIPS are determined by various methods, generally from 1 to 5000 K. These data are provided with HITRAN2020 and a new version of the TIPS code is available in both FORTRAN and python languages.