TY - JOUR
T1 - Total internal partition sums for the HITRAN2020 database
AU - Gamache, Robert R.
AU - Vispoel, Bastien
AU - Rey, Michaël
AU - Nikitin, Andrei
AU - Tyuterev, Vladimir
AU - Egorov, Oleg
AU - Gordon, Iouli E.
AU - Boudon, Vincent
N1 - Funding Information:
Research at the University of Massachusetts Lowell was supported by the National Science Foundation through Grant No. AGS-1622676 . V.T. and O.E. acknowledge the support for the ozone studies from Russian Science Foundation RNF grant no. 19-12-00171 . GSMA laboratory acknowledges the support from LIA “SAMIA” French-Russian collaboration program and ROMEO computer center of the Champagne-Ardennes region, France. The development of the HITRAN database is supported through NASA grants NNX17AI78G , NNX16AG51G and 80NSSC20K0962 .
Publisher Copyright:
© 2021
PY - 2021/9
Y1 - 2021/9
N2 - 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.
AB - 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.
KW - Molecules/isotopologues on HITRAN2020
KW - TIPS_2021_v1p0.for
KW - TIPS_2021_v1p0.py
KW - Total internal partition sum (TIPS)
UR - http://www.scopus.com/inward/record.url?scp=85106632031&partnerID=8YFLogxK
U2 - 10.1016/j.jqsrt.2021.107713
DO - 10.1016/j.jqsrt.2021.107713
M3 - Article
AN - SCOPUS:85106632031
SN - 0022-4073
VL - 271
JO - Journal of Quantitative Spectroscopy and Radiative Transfer
JF - Journal of Quantitative Spectroscopy and Radiative Transfer
M1 - 107713
ER -