Total internal partition sums for 166 isotopologues of 51 molecules important in planetary atmospheres: Application to HITRAN2016 and beyond

被引：143

作者：

Gamache, Robert R. ^{[1
,2
]}

Roller, Christopher ^{[1
,2
]}

Lopes, Eldon ^{[1
,2
]}

Gordon, Iouli E. ^{[3
]}

Rothman, Laurence S. ^{[3
]}

Polyansky, Oleg L. ^{[4
]}

Zobov, Nikolai E. ^{[5
]}

Kyuberis, Aleksandra A. ^{[5
]}

Tennyson, Jonathan ^{[4
]}

Yurchenko, Sergei N. ^{[4
]}

Csaszar, Attila G. ^{[6
]}

Furtenbacher, Tibor ^{[6
]}

Huang, Xinchuan ^{[7
]}

Schwenke, David W. ^{[8
]}

Lee, Timothy J. ^{[9
]}

Drouin, Brian J. ^{[10
]}

Tashkun, Sergei A. ^{[11
]}

Perevalov, Valery I. ^{[11
]}

Kochanov, Roman V. ^{[3
]}

机构：

[1] Univ Massachusetts Lowell, Dept Environm Earth & Atmospher Sci, Lowell, MA 01854 USA

[2] Univ Massachusetts, Sch Marine Sci, Lowell, MA 01854 USA

[3] Harvard Smithsonian Ctr Astrophys, Atom & Mol Phys Div, Cambridge, MA 02138 USA

[4] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England

[5] Russian Acad Sci, Inst Appl Phys, Ulyanov St 46, Nizhnii Novgorod 603950, Russia

[6] Eotvos Lorand Univ, Lab Mol Struct & Dynam, Inst Chem, Pazmany Peter Setany 1-A, H-1117 Budapest, Hungary

[7] SETI Inst, 189 Bernardo Ave,Suite 200, Mountain View, CA 94043 USA

[8] NASA, Ames Res Ctr, NAS Facil, MS T27B-1, Moffett Field, CA 94035 USA

[9] NASA, Ames Res Ctr, Space Sci & Astrobiol Div, MS 245-1, Moffett Field, CA 94035 USA

[10] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA

[11] VE Zuev Inst Atmospher Opt, Lab Theoret Spect, Academician Zuev Sq 1, Tomsk 634021, Russia

来源：

JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER | 2017年 / 203卷

基金：

美国国家科学基金会; 美国国家航空航天局;

关键词：

Total internal partition sum (TIPS); Molecules/isotopologues on HITRAN2016; TIPS_2017_v1p0.for; TIPS_2017_v1p0.py; ROTATIONAL-VIBRATIONAL SPECTRA; IUPAC CRITICAL-EVALUATION; TRANSITION WAVE-NUMBERS; COMPUTED LINE LIST; ENERGY-LEVELS; SPECTROSCOPIC DATA; MODEL ATMOSPHERES; SYNTHETIC SPECTRA; INFRARED-SPECTRA; GROUND-STATE;

D O I：

10.1016/j.jqsrt.2017.03.045

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Total internal partition sums (TIPS) are reported for 166 isotopologues of 51 molecules important in planetary atmospheres. Molecules I to 50 are taken from the HITRAN2016 list, and, in some cases, additional isotopologues are considered for some of the molecules. Molecules 51-53 are C3H4, CH3, and CS2, respectively. TIPS are not reported for the 0 atom and CF4; thus, while there are 53 species in the list, data are reported for 51 molecules. The TIPS are determined by various methods from 1 K to a T-max that ensures the TIPS reported have converged. These data are provided with HITRAN2016 and a new version of the TIPS code is available in both FORTRAN and python languages. (C) 2017 Elsevier Ltd. All rights reserved.

引用

页码：70 / 87

页数：18

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