J/MNRAS/434/1469 ExoMol line lists for SiO (Barton+, 2013)
ExoMol line lists.
II: The rovibrational spectrum of SiO.
Barton E.J., Yurchenko S.N., Tennyson J.
<Mon. Not. R. Astron. Soc. 434, 1469 (2013)>
=2013MNRAS.434.1469B 2013MNRAS.434.1469B
ADC_Keywords: Atomic physics ; Spectra, infrared ; Spectra, ultraviolet ;
Models, atmosphere
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres - stars: low-mass
Abstract:
Accurate rotation-vibration line lists are calculated for silicon
monoxide. Line lists are presented for the main isotopologue,
28Si16O, and four monosubstituted isotopologues 29Si16O,
30Si16O, 28Si17O and 28Si18O, in their ground electronic
states. These line lists are suitable for high temperatures (up to
9000K) including those relevant to exoplanetary atmospheres and cool
stars. A combination of empirical and ab initio methods is used: the
potential energy curves are determined to high accuracy by fitting to
extensive data from analysis of both laboratory and sunspot spectra; a
high quality ab initio dipole moment curve is calculated at the large
basis set, multi-reference configuration interaction (MRCI) level. A
partition function plus full line lists of rotation-vibration
transitions are made available in an electronic form as supplementary
data to this article and at www.exomol.com.
Description:
Transitions are divided into two files, Transition and Energy files.
Transition file (e.g. Tran2816.dat) contains the molecular states
(e.g. of 28Si16O), each of which is identified by an integer ID,
energy term value, total degeneracy, and quantum numbers labelling the
state. The ro-vibrational states are labelled with the rotational
angular momentum J and the vibrational quantum number v. Energy file
(e.g. Ener2816.dat) references the upper and lower states using their
IDs, and provides the Einstein A-coefficient for the transition.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
tran2816.dat 36 1784964 Transition file for 28Si16O
tran2916.dat 36 1818923 Transition file for 29Si16O
tran3016.dat 36 1852656 Transition file for 30Si16O
tran2817.dat 36 1890039 Transition file for 28Si17O
tran2818.dat 36 1993414 Transition file for 28Si18O
ener2816.dat 45 24306 Energy file for 28Si16O
ener2916.dat 45 24617 Energy file for 29Si16O
ener3016.dat 45 24915 Energy file for 30Si16O
ener2817.dat 45 25254 Energy file for 28Si17O
ener2818.dat 45 26162 Energy file for 28Si18O
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See also:
J/MNRAS/425/34 : ExoMol line lists. I. BeH, MgH and CaH (Yadin+, 2012)
J/MNRAS/437/1828 : ExoMol line list for HCN and HNC (Barber+, 2014)
J/MNRAS/440/1649 : ExoMol line list for CH4 (Yurchenko+, 2014)
J/MNRAS/442/1821 : ExoMol line list for NaCl and KCl (Barton+, 2014)
J/MNRAS/445/1383 : ExoMol line list for PN (Yorke+, 2014)
J/MNRAS/446/2337 : ExoMol line list for PH3 (Sousa-Silva+, 2015)
J/MNRAS/448/1704 : ExoMol line lists for H2CO (Al-Refaie+, 2015)
J/MNRAS/449/3613 : ExoMol line lists for AlO (Patrascu+, 2015)
J/MNRAS/451/5153 : ExoMol line lists for NaH and NaD (Rivlin+, 2015)
www.exomol.com : ExoMol Home Page
Byte-by-byte Description of file: tran*.dat
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Bytes Format Units Label Explanations
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8- 12 I5 --- i1 Upper state ID
21- 25 I5 --- i0 Lower state ID
27- 36 E10.5 s-1 A Einstein A-coefficient of the transition
-------------------------------------------------------------------------------
Byte-by-byte Description of file: ener*.dat
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Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
8- 12 I5 --- i State ID, non-negative integer index,
starting at 1
14- 25 F12.6 cm-1 E State energy term value in cm-1
29- 32 I4 --- g Total state degeneracy
38- 40 I3 --- J [0/423] J-quantum number. J is the total
angular momentum excluding nuclear spin (1)
44- 45 I2 --- v [0/98] Vibrational quantum number (1)
-------------------------------------------------------------------------------
Note (1): Interval values for J and v:
* 28Si16O (ener2816.dat): J in [0/408], v in [0/95]
* 29Si16O (ener2916.dat): J in [0/410], v in [0/95]
* 30Si16O (ener3016.dat): J in [0/413], v in [0/96]
* 28Si17O (ener2817.dat): J in [0/416], v in [0/97]
* 28Si18O (ener2818.dat): J in [0/423], v in [0/98]
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Acknowledgements:
J. Tennyson, j.tennyson(at)ucl.ac.uk
S.N. Yurchenko, s.yurchenko(at)chemie.tu-dresden.de
References:
Yadin et al., Paper I 2012MNRAS.425...34Y 2012MNRAS.425...34Y, Cat. J/MNRAS/425/34
Barton et al., Paper II 2013MNRAS.434.1469B 2013MNRAS.434.1469B, Cat. J/MNRAS/434/1469
Barber et al., Paper III 2014MNRAS.437.1828B 2014MNRAS.437.1828B, Cat. J/MNRAS/427/1828
Yurchenko et al., Paper IV 2014MNRAS.440.1649Y 2014MNRAS.440.1649Y, Cat. J/MNRAS/440/1649
Barton et al., Paper V 2014MNRAS.442.1821B 2014MNRAS.442.1821B, Cat. J/MNRAS/442/1821
Yorke et al., Paper VI 2014MNRAS.445.1383Y 2014MNRAS.445.1383Y, Cat. J/MNRAS/445/1383
Sousa-Silva et al., Paper VII 2015MNRAS.446.2337A 2015MNRAS.446.2337A, Cat. J/MNRAS/446/2337
Al-Refaie et al., Paper VIII 2015MNRAS.448.1704A 2015MNRAS.448.1704A, Cat. J/MNRAS/448/1704
Patrascu et al., Paper IX 2015MNRAS.449.3613P 2015MNRAS.449.3613P, Cat. J/MNRAS/449/3613
Rivlin et al., Paper X 2015MNRAS.451.5153R 2015MNRAS.451.5153R, Cat. J/MNRAS/451/5153
(End) Sergei Yurchenko [Univ. Col. London], Patricia Vannier [CDS] 14-Jun-2013