J/MNRAS/488/2332 ExoMol line list XXXIV. PH (Langleben+, 2019)
ExoMol line list. XXXIV: A rovibrational line list for phosphinidene (PH) in
its X3Σ- and a1Δ electronic states.
Langleben J., Tennyson J., Yurchenko S.N., Bernath P.
<Mon. Not. R. Astron. Soc. 488, 2332 (2019)>
=2019MNRAS.488.2332L 2019MNRAS.488.2332L (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres - stars: low-mass
Abstract:
A rovibronic line list for the ground (X3Σ-) and first
excited (a1Δ) states of phosphinidene, 31PH, is computed. The
line list is designed for studies of exoplanetary and cool stellar
atmospheres with temperatures up to 4000K. A combination of empirical
and ad initio data are used to produce the line list: potential energy
curves (PECs) are fitted using experimental transition frequencies;
these transitions are reproduced with a root mean square error of
0.01cm-1. The nuclear Schroedinger is solved using these PECs plus
Born-Oppenheimer and spin splitting correction terms. Line intensities
and Einstein A coefficients are computed using ab initio Dipole Moment
Curves (DMC) X-X and a-a. The resulting LaTY line list, which contains
65055 transitions for 2528 rovibronic states up to 24500cm-1 and
J=80, is used to simulate spectra in emission and absorption at a
range of temperatures. The line list is made available in electronic
form at the CDS and ExoMol databases.
Description:
The linelist data is in two parts. The first, s*.dat contains a list
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 and rotational quantum number.
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 t*.dat 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.
The p*.dat file contains a partition function 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
--------------------------------------------------------------------------------
ReadMe 80 . This file
tph.dat 57 64828 Transition file for PH
sph.dat 78 2528 States file for PH
pph.dat 24 4000 Partition function for PH
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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)
J/MNRAS/486/2351 : ExoMol line lists. XXXII. MgO (Li+, 2019)
Byte-by-byte Description of file: tph.dat
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Bytes Format Units Label Explanations
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1- 12 I12 --- I' Upper state ID
14- 25 I12 --- I" Lower state ID
28- 37 E10.4 s-1 A Einstein A-coefficient of the transition
44- 57 F14.6 cm-1 nu Transition wavenumber
-------------------------------------------------------------------------------
Byte-by-byte Description of file: sph.dat
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Bytes Format Units Label Explanations
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1- 12 I12 --- I 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 --- gLande Lande-g factor
57 A1 --- par Total parity
59 A1 --- e/f e/f-rotationless-parity parity
62- 69 A8 --- State The label of the electronic state
71- 73 I3 --- v Vibrational quantum number
76- 78 I3 --- N Rotational quantum number
-------------------------------------------------------------------------------
Byte-by-byte Description of file: pph.dat
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Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 8 F8.1 K T Temperature in Kelvin
10- 24 F15.4 --- Q Parition function
-------------------------------------------------------------------------------
Acknowledgements:
S.N. Yurchenko, s.yurchenko(at)ucl.ac.uk
J. Tennyson, j.tennyson(at)ucl.ac.uk
(End) Patricia Vannier [CDS] 21-Aug-2019