ExoMol molecular line lists - XXXV. A rotation-vibration line list for hot ammonia

被引:136
作者
Coles, Phillip A. [1 ]
Yurchenko, Sergei N. [1 ]
Tennyson, Jonathan [1 ]
机构
[1] UCL, Dept Phys & Astron, London WC1E 6BT, England
基金
英国工程与自然科学研究理事会;
关键词
molecular data; opacity; astronomical data bases: miscellaneous; planets and satellites: atmospheres; brown dwarfs; stars: low-mass; BASIS-SETS; VISIBLE SPECTRUM; NH3; ABSORPTION; ASSIGNMENTS; JUPITER; METHANE; INTENSITIES; (NH3)-N-14; EXOPLANET; ENERGIES;
D O I
10.1093/mnras/stz2778
中图分类号
P1 [天文学];
学科分类号
0704 ;
摘要
A new hot line list for (NH3)-N-14 is presented. The line list CoYuTe was constructed using an accurate, empirically refined potential energy surface and a CCSD(T)/aug-cc-pVQZ ab initio dipole moment surface of ammonia, previously reported. The line list is an improvement of the ammonia line list BYTe. The CoYuTe line list covers wavenumbers up to 20 000 cm(-1), i.e. wavelengths beyond 0.5 mu m for temperatures up to 1500 K. Comparisons with the high temperature experimental data from the literature show excellent agreement for wavenumbers below 6000 cm(-1). The CoYuTe line list contains 16.9 billion transitions and is available from the ExoMol website (www.exomol.com) and the CDS data base.
引用
收藏
页码:4638 / 4647
页数:10
相关论文
共 69 条
[21]   Ammonia line lists from 1650 to 4000 cm-1 [J].
Hargreaves, Robert J. ;
Li, Gang ;
Bernath, Peter F. .
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2012, 113 (09) :670-679
[22]   HOT NH3 SPECTRA FOR ASTROPHYSICAL APPLICATIONS [J].
Hargreaves, Robert J. ;
Li, Gang ;
Bernath, Peter F. .
ASTROPHYSICAL JOURNAL, 2011, 735 (02)
[23]   AMMONIA EMISSIONS FROM BIOMASS BURNING [J].
HEGG, DA ;
RADKE, LF ;
HOBBS, PV ;
RIGGAN, PJ .
GEOPHYSICAL RESEARCH LETTERS, 1988, 15 (04) :335-337
[24]  
Huang X, 2013, HSL PRE3 ENERGIES LI
[25]   Quantitative validation of Ames IR intensity and new line lists for 32/33/34S16O2, 32S18O2 and 16O32S18O [J].
Huang, Xinchuan ;
Schwenke, David W. ;
Lee, Timothy J. .
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER, 2019, 225 :327-336
[26]   Rovibrational spectra of ammonia. II. Detailed analysis, comparison, and prediction of spectroscopic assignments for 14NH3, 15NH3, and 14ND3 [J].
Huang, Xinchuan ;
Schwenke, David W. ;
Lee, Timothy J. .
JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (04)
[27]   Rovibrational spectra of ammonia. I. Unprecedented accuracy of a potential energy surface used with nonadiabatic corrections [J].
Huang, Xinchuan ;
Schwenke, David W. ;
Lee, Timothy J. .
JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (04)
[28]   Analysis of gaseous ammonia (NH3) absorption in the visible spectrum of Jupiter - Update [J].
Irwin, Patrick G. J. ;
Bowles, Neil ;
Braude, Ashwin S. ;
Garland, Ryan ;
Calcutt, Simon ;
Coles, Phillip A. ;
Yurchenko, Sergey N. ;
Tennyson, Jonathan .
ICARUS, 2019, 321 :572-582
[29]   Analysis of gaseous ammonia (NH3) absorption in the visible spectrum of Jupiter [J].
Irwin, Patrick G. J. ;
Bowles, Neil ;
Braude, Ashwin S. ;
Garland, Ryan ;
Calcutt, Simon .
ICARUS, 2018, 302 :426-436
[30]   ELECTRON-AFFINITIES OF THE 1ST-ROW ATOMS REVISITED - SYSTEMATIC BASIS-SETS AND WAVE-FUNCTIONS [J].
KENDALL, RA ;
DUNNING, TH ;
HARRISON, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (09) :6796-6806