J/MNRAS/460/4063 ExoMol line list for H2S AYT2 (Yurchenko+, 2016)
ExoMol molecular line lists.
XVI: The rotation-vibration spectrum of hot H2S.
Azzam A.A.A., Tennyson J., Yurchenko S.N., Naumenlo O.V.
<Mon. Not. R. Astron. Soc. 460, 4063 (2016)>
=2016MNRAS.460.4063A 2016MNRAS.460.4063A (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres
Abstract:
This work presents the AYT2 line list: a comprehensive list of 115
million 1H232S vibration-rotation transitions computed using an
empirically adjusted potential energy surface and an ab initio dipole
moment surface. The line list gives complete coverage up to
11000cm-1 (wavelengths longer than 0.91um) for temperatures up to
2000K. Room temperature spectra can be simulated up to 20000cm-1
(0.5um) but the predictions at visible wavelengths are less reliable.
AYT2 is made available in electronic form as supplementary data to
this paper at www.exomol.com.
Description:
The data are in two parts. The first, H2S_AYT2.dat contains a list of
rovibrational states. Each state is labelled with 3 vibrational (v1,
v2, v3) and 3 rotational (J, Ka, Kc) quantum numbers and total
symmetry. An additional column indicates the source of the quantum
numbers, empirical (e) or calculated (c). "---" (NaN) indicates that
the quantum numbers are not available. The total degeneracy is given
to facilitate the intensity calculations and the lifetimes (s) are
given in the column 5.
Because of their size, the transitions are listed in 20 separate
files, each containing all the transitions in a 1000cm-1 frequency
range. These and their contents are ordered by increasing frequency.
The name of the file includes the lowest frequency in the range; thus
the a_05000.dat file contains all the transitions in the frequency
range 5000-6000cm-1 but not including 6000cm-1.
The transition files a_xxxxx.dat contain three columns: the reference
number in the energy file of the upper state, that of the lower state
and the Einstein A coefficient of the transition. The energy file and
the transitions files are bzipped, and need to be extracted before
use.
File Summary:
--------------------------------------------------------------------------------
FileName Lrecl Records Explanations
--------------------------------------------------------------------------------
ReadMe 80 . This file
h2s_ayt2.dat 89 220630 Labelled rovibrational states
trans/* . 20 *Individual file of frequency-ordered transitions
--------------------------------------------------------------------------------
Note on trans/*: Files are labelled a-NNNNN.dat. Each file corresponds to
frequency-ordered transitions, NNNNN - NNNNN+1000 cm-1.
--------------------------------------------------------------------------------
See also:
J/MNRAS/425/34 : ExoMol line lists for BeH, MgH and CaH (Yadin+, 2012)
J/MNRAS/434/1469 : ExoMol line lists for SiO (Barton+, 2013)
J/MNRAS/437/1828 : ExoMol line list for HCN and HNC (Barber+, 2014)
J/MNRAS/440/1649 : ExoMol line lists for CH4 (Yurchenko+, 2014)
J/MNRAS/442/1821 : ExoMol line list for KCl (Barton+, 2014)
J/MNRAS/445/1383 : ExoMol line list for phosphorus nitride (PN) (Yorke+, 2014)
J/MNRAS/446/2337 : ExoMol line lists for phosphine (PH3) (Sousa-Silva+, 2015)
J/MNRAS/448/1704 : ExoMol line lists for formaldehyde H2CO (Al-Refaie+, 2015)
J/MNRAS/449/3613 : ExoMol line lists for AlO (Patrascu+, 2015)
J/MNRAS/451/634 : ExoMol line lists for NaH and NaD (Rivlin+, 2015)
J/MNRAS/456/4524 : ExoMol line lists for CaO (Yurchenko+, 2016)
Byte-by-byte Description of file: h2s_ayt2.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 12 I12 --- i [1/220630] Energy level index
14- 25 F12.6 cm-1 E State energy in wavenumbers
30- 32 I3 --- Gtot Total state degeneracy
39- 40 I2 --- J Rotational quantum number
44- 53 E10.4 --- tau ? Life time (s)
54 A1 --- n_tau [i] i for infinity
57- 58 A2 --- Gamma Total symemtry: A1,A2,B1,B2
61- 63 I3 --- Ka ?=- Asymmetric top quantum number (QN)
--- (NaN) if not present
66- 68 I3 --- Kc ?=- Asymmetric top quantum number
--- (NaN) if not present
72- 74 I3 --- v1 ?=- Symmetric stretch quantum number
--- (NaN) if not present
77- 79 I3 --- v2 ?=- Symmetric bend quantum number
--- (NaN) if not present
82- 84 I3 --- v3 ?=- Asymmetric stretch quantum number
--- (NaN) if not present
87- 89 A3 --- e/c A label for empirical/calculate/NaN QNs.
--------------------------------------------------------------------------------
Byte-by-byte Description of file: trans/*
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 12 I12 --- i0 [2/220630] Upper state ID
14- 25 I12 --- i1 [1/220629] Lower state ID
27- 36 E10.4 s-1 A Einstein A-coefficient of the transition
--------------------------------------------------------------------------------
Acknowledgements:
S.N. Yurchenko, s.yurchenko(at)ucl.ac.uk
J. Tennyson, j.tennyson(at)ucl.ac.uk
(End) Patricia Vannier [CDS] 17-May-2016