Total internal partition sums for molecular species in the 2000 edition of the HITRAN database

被引:181
作者
Fischer, J
Gamache, RR [1 ]
Goldman, A
Rothman, LS
Perrin, A
机构
[1] Univ Massachusetts Lowell, Dept Environm Earth & Atmospher Sci, Lowell, MA 01854 USA
[2] Univ Denver, Dept Phys, Denver, CO 80208 USA
[3] Harvard Smithsonian Ctr Astrophys, Atom & Mol Phys Div, Cambridge, MA 02138 USA
[4] Univ Paris 11, Photophys Mol Lab, F-91405 Orsay, France
基金
美国国家科学基金会;
关键词
total internal partition sums; partition functions; atmospheric molecular species; HITRAN; temperature dependence of partition functions;
D O I
10.1016/S0022-4073(03)00166-3
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Total internal partition sums (TIPS) are calculated for all molecular species in the 2000 HITRAN database. In addition, the TIPS for 13 other isotopomers/isotopologues of ozone and carbon dioxide are presented. The calculations address the corrections suggested by Goldman et al. (JQSRT 66 (2000) 455). The calculations consider the temperature range 70-3000 K to be applicable to a variety of remote sensing needs. The method of calculation for each molecular species is stated and comparisons with data from the literature are discussed. A new method of recall for the partition sums, Lagrange 4-point interpolation, is developed. This method, unlike previous versions of the TIPS code, allows all molecular species to be considered. (C) 2003 Elsevier Ltd. All rights reserved.
引用
收藏
页码:401 / 412
页数:12
相关论文
共 19 条
[1]   MICROWAVE-SPECTRA OF MOLECULES OF ASTROPHYSICAL INTEREST .12. HYDROXYL RADICAL [J].
BEAUDET, RA ;
POYNTER, RL .
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1978, 7 (01) :311-362
[2]  
FISCHER J, 2001, JQSRT, V74, P263
[3]  
FISCHER J, 2003, AS0301 U MASS DEP EN
[4]  
FISCHER J, 2001, JQSRT, V74, P273
[5]   THE FAR INFRARED-SPECTRUM OF H2O2 - 1ST OBSERVATION OF THE STAGGERING OF THE LEVELS AND DETERMINATION OF THE CIS BARRIER [J].
FLAUD, JM ;
CAMYPEYRET, C ;
JOHNS, JWC ;
CARLI, B .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (03) :1504-1510
[6]  
FLAUD JM, 1997, ADV SERIES PHYSICAL, V9, P396
[7]   Total internal partition sums for molecules in the terrestrial atmosphere [J].
Gamache, RR ;
Kennedy, S ;
Hawkins, R ;
Rothman, LS .
JOURNAL OF MOLECULAR STRUCTURE, 2000, 517 :407-425
[8]   TOTAL INTERNAL PARTITION SUMS IN THE TEMPERATURE-RANGE 70-3000-K - ATMOSPHERIC LINEAR-MOLECULES [J].
GAMACHE, RR ;
HAWKINS, RL ;
ROTHMAN, LS .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1990, 142 (02) :205-219
[9]   HITRAN partition functions and weighted transition-moments squared [J].
Goldman, A ;
Gamache, RR ;
Perrin, A ;
Flaud, JM ;
Rinsland, CP ;
Rothman, LS .
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2000, 66 (05) :455-486
[10]  
Herzberg G, 1960, MOL SPECTRA MOL STRU, V2