J/MNRAS/471/5025 ExoMol line lists for 28SiH4 (Owens+, 2017)
ExoMol line lists.
XXII. The rotation-vibration spectrum of silane up to 1200 K.
Owens A., Yachmenev A., Thiel W., Tennyson J., Yurchenko S.N.
<Mon. Not. R. Astron. Soc. 471, 5025 (2017)>
=2017MNRAS.471.5025O 2017MNRAS.471.5025O (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: astronomical data bases - physical data and processes
Abstract:
A variationally computed 28SiH4 rotation-vibration line list
applicable for temperatures up to T=1200K is presented. The line list,
called OY2T, considers transitions with rotational excitation up to
J=42 in the wavenumber range 0-5000cm-1 (wavelengths
λ>2um). Just under 62.7 billion transitions have been
calculated between 6.1 million energy levels. Rovibrational
calculations have utilized a new 'spectroscopic' potential energy
surface determined by empirical refinement to 1452 experimentally
derived energy levels up to J=6, and a previously reported ab initio
dipole moment surface. The temperature-dependent partition function of
silane, the OY2T line list format, and the temperature dependence of
the OY2T line list are discussed. Comparisons with the PNNL spectral
library and other experimental sources indicate that the OY2T line
list is robust and able to accurately reproduce weaker intensity
features. The full line list is available from the ExoMol database and
the CDS database.
Description:
The states file sih4_e42.dat contains a list of rovibrational states.
Each state is labelled with: nine TROVE local mode vibrational quantum
numbers and the vibrational symmetry; three rotational quantum numbers
including the total angular momentum J and rotational symmetry; the
total symmetry quantum number Gamma. In addition there is a largest
coefficients used to assign the state in question. Each rovibrational
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 total degeneracy is also given to facilitate the intensity
calculations.
Because of their size, the transitions are listed in 50 separate
files, each containing all the transitions in a 100cm-1 frequency
range. These transition files T_*.dat contain the silane lines lines
consisting of three columns: the reference number in the energy file
of the upper state, that of the lower state, the Einstein A
coefficient of the transition and the transition wavenumber. These
entries are ordered by increasing frequency. The name of the file
includes the lowest frequency in the range; thus the T_00500.dat file
contains all the transitions in the frequency range 500-600cm-1.
The energy file and the transitions files are bzipped, and need to be
extracted before use.
A programme ExoCross to generate synthetic spectra from these line
lists can be obtained at www.exomol.com.
File Summary:
--------------------------------------------------------------------------------
FileName Lrecl Records Explanations
--------------------------------------------------------------------------------
ReadMe 80 . This file
sih4_e42.dat 114 7086727 Labelled rovibrational states
trans/* . 50 *Transition files (Einstein coefficients, 1/s)
divided into 100 cm-1 frequency pieces.
(TOTAL SIZE: 558G)
--------------------------------------------------------------------------------
Note on trans/* : The transitions are sorted according with wavenumber.
T_xxxx.dat where xxxxx indicates the lower wavenumber bound.
--------------------------------------------------------------------------------
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)
www.exomol.com : ExoMol Home Page
Byte-by-byte Description of file: sih4_e42.dat*
--------------------------------------------------------------------------------
Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 12 I12 --- i State ID, non-negative integer index
starting at 1
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 [0/50] J-quantum number J is the total angular
momentum excluding nuclear spin
41- 45 I5 --- G [1/5] Total symmetry in Td(M),
Gamma = A1, A2, E, F1, F2
49- 51 I3 --- v1 [0/10] Local mode vibrational quantum number
53- 55 I3 --- v2 [0/10] Local mode vibrational QN
57- 59 I3 --- v3 [0/10] Local mode vibrational QN
61- 63 I3 --- v4 [0/10] Local mode vibrational QN
65- 67 I3 --- v5 [0/20] Local mode vibrational QN
69- 71 I3 --- v6 [0/20] Local mode vibrational QN
73- 75 I3 --- v7 [0/20] Local mode vibrational QN
77- 79 I3 --- v8 [0/20] Local mode vibrational QN
81- 83 I3 --- v9 [0/20] Local mode vibrational QN
85- 88 I4 --- Gv [1/5] Td(M) vibrational symmetry Gamma(v)
93- 95 I3 --- J1 [0/50] Total angular momentum quantum number
98- 99 I2 --- K [0/42] Projection of J on axis of molecular
symmetry
103 I1 --- Pr [0/1] Rotational parity tau(rot)
105-107 I3 --- Grot [1/5] Td(M) rotational symmetry c(r)
109-114 F6.2 --- C2 [0.0/1.0000] Square of the largest coefficient
-------------------------------------------------------------------------------
Byte-by-byte description of file: trans/*
-------------------------------------------------------------------------------
1- 12 I12 --- i" Upper state ID
14- 25 I12 --- i' Lower state ID
27- 36 E10.4 s-1 A Einstein A-coefficient of the transition
-------------------------------------------------------------------------------
Acknowledgements:
Alec Owens, alec.owens(at)cfel.de
Sergei N. Yurchenko, s.yurchenko(at)ucl.ac.uk
Jonathan Tennyson, j.tennyson(at)ucl.ac.uk
(End) Patricia Vannier [CDS] 21-Aug-2017