J/MNRAS/456/4524 ExoMol line lists for CaO (Yurchenko+, 2016)
ExoMol molecular line lists.
XIII. The spectrum of CaO.
Yurchenko S.N., Blissett A., Asari U., Vasilios M., Hill C., Tennyson J.
<Mon. Not. R. Astron. Soc. 456, 4524 (2016)>
=2016MNRAS.456.4524Y 2016MNRAS.456.4524Y (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres - stars: low-mass
Abstract:
An accurate line list for calcium oxide is presented covering
transitions between all bound ro-vibronic levels from the five lowest
electronic states. The ro-vibronic energies and corresponding
wavefunctions were obtained by solving the fully coupled Schroedinger
equation. Ab initio potential energy, spin-orbit, and electronic
angular momentum curves were refined by fitting to the experimental
frequencies and experimentally derived energies available in the
literature. Using our refined model and high level ab initio electric
dipole moments reported previously accurate ro-vibronic energies and
Einstein A coefficients were computed. Our work is the first fully
coupled description of this system. Our line list is the most complete
catalogue of spectroscopic transitions available for CaO and is
applicable for temperatures up to at least 5000 K. CaO has yet to be
observed astronomically but its transitions are characterised by being
particularly strong which should facilitate its detection. The CaO
line list is made available in an electronic form as supplementary
data to this article and at www.exomol.com.
Description:
The data for each isotopologue are in two parts. The first, CaO.states
contains a list of rovibronic states. Each state is labelled with the
total angular momentum, state degeneracy, 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 file CaO.trans contains 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.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
caostate.dat 78 130660 Labelled rovibronic states
caotrans.dat 56 28418064 Transition file
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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)
Byte-by-byte Description of file: caostate.dat
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Bytes Format Units Label Explanations
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7- 12 I6 --- N [1/130660] State ID, non-negative integer index
14- 25 F12.6 cm-1 E State energy term value in cm-1
30- 32 I3 --- g Total state degeneracy
38- 40 I3 --- J J-quantum number J$ is the total angular
momentum excluding nuclear spin
42 A1 --- par [±] Total parity
44 A1 --- e/f [e/f] e/f-rotationless-parity parity
46- 53 A8 --- State The label of the electronic state
58- 59 I2 --- v [0/65] Vibrational quantum number
61- 62 I2 --- Lambda [-1/1] Projection of the electronic angular
momentum
69- 70 I2 --- Sigma [-1/1] Projection of the electronic spin
77- 78 I2 --- Omega [-2/2] projection of the total angular momentum
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Byte-by-byte Description of file: caotrans.dat
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
7- 12 I6 --- N1 [2/121749] Upper state ID
19- 24 I6 --- N0 [1/121193] Lower state ID
27- 36 E10.5 s-1 A Einstein A-coefficient of the transition
45- 56 F12.6 cm-1 nu Transition wavenumber
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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] 28-Dec-2015