J/MNRAS/486/2351 ExoMol line lists. XXXII. MgO (Li+, 2019)
ExoMol line lists. XXXII: The rovibronic spectrum of MgO.
Li H.Y., Tennyson J., Yurchenko S.N.
<Mon. Not. R. Astron. Soc. 486, 2351 (2019)>
=2019MNRAS.486.2351L 2019MNRAS.486.2351L (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres - stars: low-mass
Abstract:
Line lists for magnesium oxide are computed and extensive comparisons
are made with existing experimental spectra. The LiTY line lists cover
all ro-vibration transitions within the five lowest-lying electronic
states (X, a, A, B, b) and five isotopologues 24Mg16O,
25Mg16O, 26Mg16O, 24Mg17O, 24Mg18O. The calculation
use potential energy cures, spin-orbit and electronic angular momentum
couplings curves determined by fitting to empirical energy levels
which are reproduced to within 0.01cm-1 in most cases. The computed
wavefunctions combined with ab initio dipole moment curves giving
transition intensities and excited state radiative lifetimes which are
compared with laboratory measurements. The 24Mg16O line list
comprises 186842 (J≤320) ro-vibronic states and 72833173 transitions
with for angular momenta, J, up to 300 and covering energies in
wavenumber up to 33000cm-1. The line list are suitable for
temperatures up to about 5000K. They are relevant to astrophysical
studies of exoplanet atmospheres, cool stars and brown drafts.
Description:
The data for each of five isotopologues of MgO are in two parts. The
first, s*.dat contain lists of rovibronic states. Each state is
labelled with the total angular momentum, state degeneracy, 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 p*.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
trans/* . 5 Transition file for the 24Mg17O, 24Mg16O
24Mg18O, 25Mg16O and 26Mg16O
isotopologues
states/* . 5 States file for the 24Mg16O, 24Mg17O,
24Mg18O, 25Mg16O and 26Mg16O
isotopologues
p24mg16o.dat 24 5000 Partition function for the 24Mg16O isotopologue
p24mg17o.dat 24 5000 Partition function for the 24Mg17O isotopologue
p24mg18o.dat 24 5000 Partition function for the 24Mg18O isotopologue
p25mg16o.dat 24 5000 Partition function for the 25Mg16O isotopologue
p26mg16o.dat 24 5000 Partition function for the 26Mg16O 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)
J/MNRAS/479/3002 : ExoMol line lists. XXIX. CH3Cl (Owens+, 2018)
Byte-by-byte Description of file: trans/*
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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
43- 56 F14.6 cm-1 nu Transition wavenumber
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Byte-by-byte Description of file: states/*
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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
34- 40 I7 --- J J-quantum number J is the total angular
momentum excluding nuclear spin
46- 54 F9.6 --- Langeg Lande-g factor
56 A1 --- par Total parity
58 A1 --- e/f e/f-rotationless-parity parity
60- 67 A8 --- State The label of the electronic state
71- 73 I3 --- v Vibrational quantum number
75- 76 I2 --- Lambda Projection of the electronic angular momentum
81- 84 I4 --- Sigma Projection of the electronic spin
89- 92 I4 --- Omega projection of the total angular momentum
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Byte-by-byte Description of file: p*.dat
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Bytes Format Units Label Explanations
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1- 8 F8.1 K T Temperature in Kelvin
10- 24 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] 29-Apr-2019