J/MNRAS/479/1401 ExoMol line lists. AlH (Yurchenko+, 2018)
ExoMol line lists. XXVIII: The rovibronic spectrum of AlH.
Yurchenko S.N., Williams H., Leyland P.C., Lodi L., Tennyson J.
<Mon. Not. R. Astron. Soc. 479, 1401 (2018)>
=2018MNRAS.479.1401Y 2018MNRAS.479.1401Y (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: molecular data, opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres - stars: low-mass
Abstract:
A new line list for AlH is produced. The WYLLoT line list spans two
electronic states X1{SIGMA}1 and A1{PI}. A diabatic model is
used to model the shallow potential energy curve of the A1{PI}
state, which has a strong pre-dissociative character with only two
bound vibrational states. Both potential energy curves are empirical
and were obtained by fitting to experimentally derived energies of the
X1{SIGMA}1 and A1{PI} electronic states using the diatomic
nuclear motion codes Level and Duo. High temperature line lists plus
partition functions and lifetimes for three isotopologues 27AlH,
27AlD and 26AlH were generated using ab initio dipole moments
obtained with the MRCI/aug-cc-pV5Z level of theory. The line lists
cover both the X-X and A-X systems and are made available in
electronic form at the CDS and ExoMol databases.
Description:
The data for each isotopologue of AlH are in two parts. The first,
.states contain lists of rovibronic states. Each state is labelled
with the total angular momentum, state degeneracy, life time, Zeeman
Lande-g factor, total (±) and e/f parities, vibrational quantum
number, projection of the electronic, spin and total angular momenta.
Each state has a unique number, which is the number of the row in
which it appears in the file. This number is the means by which the
state is related to the second part of the data system, the
transitions files.
The transition files t_*.dat contain four columns: the reference
number in the energy file of the upper state; that of the lower state;
the Einstein A coefficient of the transition; the transition
wavenumber.
The pf*.dat files contain partition functions on a grid of 1K. ExoMol
uses the HITRAN convention, where the nuclear statistical weights are
included in the partition function as the corresponding functors.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
t_26alh.dat 56 32592 Transition file for the 26AlH isotopologue
t_27ald.dat 56 93789 Transition file for the 27AlD isotopologue
t_27alh.dat 56 36152 Transition file for the 27AlH isotopologue
s_26alh.dat 87 1549 States file for the 26AlH isotopologue
s_27ald.dat 87 2930 States file for the 27AlD isotopologue
s_27alh.dat 87 1551 States file for the 27AlH isotopologue
pf_26alh.dat 25 5000 Partition function for the 26AlH isotopologue
pf_27ald.dat 25 5000 Partition function for the 27AlD isotopologue
pf_27alh.dat 25 5000 Partition function for the 27AlH isotopologue
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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/452/1702 : ExoMol line lists for HNO3 (Pavlyuchko+, 2015)
J/MNRAS/454/1931 : ExoMol line lists for CS isotopologues (Paulose+, 2015)
J/MNRAS/456/4524 : ExoMol line lists for CaO (Yurchenko+, 2016)
J/MNRAS/459/3890 : ExoMol line lists for SO2 (Underwood+, 2016)
J/MNRAS/461/1012 : ExoMol line lists for H216O2 (Al-Refaie+, 2016)
J/MNRAS/462/4300 : ExoMol XVII: SO3 (Underwood+, 2016)
J/MNRAS/463/771 : ExoMol. VO high-temperature spectrum (McKemmish+, 2016)
J/MNRAS/466/1363 : ExoMol line list for H218O and H217O (Polyansky+, 2017)
J/MNRAS/468/1717 : ExoMol molecular line lists for H3+ (Mizus+, 2017)
J/MNRAS/470/882 : ExoMol Line List XXI: Nitric Oxide (NO) (Wong+, 2017)
J/MNRAS/471/5025 : ExoMol line lists for 28SiH4 (Owens+, 2017)
J/MNRAS/473/5324 : ExoMol line lists. XXIV. SiH (Yurchenko+, 2018)
Byte-by-byte Description of file: t_26alh.dat t_27ald.dat t_27alh.dat
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Bytes Format Units Label Explanations
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1- 12 I12 --- N' Upper state ID
13- 24 I12 --- N" Lower state ID
27- 36 E10.4 s-1 A Einstein A-coefficient of the transition
42- 56 F15.6 cm-1 nu Transition wavenumber
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Byte-by-byte Description of file: s_26alh.dat s_27ald.dat s_27alh.dat
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Bytes Format Units Label Explanations
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1- 12 I12 --- N State ID, non-negative integer index
14- 25 F12.6 cm-1 E State energy term value in cm-1
27- 32 I6 --- g Total state degeneracy
36- 38 I3 --- J J-quantum number J is the total angular
momentum excluding nuclear spin
42- 51 E10.4 s tau ? Lifetime
52 A1 --- n_tau [i] i for infinity
58 A1 --- Par Total parity
62 A1 --- e/f e/f-rotationless-parity parity
64- 71 A8 --- State The label of the electronic state
73- 75 I3 --- v Vibrational quantum number
78- 79 I2 --- Lambda Projection of the electronic angular momentum
82- 83 I2 --- Sigma Projection of the electronic spin
86- 87 I2 --- Omega projection of the total angular momentum
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Byte-by-byte Description of file: pf_26alh.dat pf_27ald.dat pf_27alh.dat
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Bytes Format Units Label Explanations
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1- 9 F9.1 K T Temperature in Kelvin
11- 25 F15.4 --- Q Parition function
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Acknowledgements:
S.N. Yurchenko, s.yurchenko(at)ucl.ac.uk
J. Tennyson, j.tennyson(at)ucl.ac.uk
(End) Patricia Vannier [CDS] 02-Jul-2018