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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 (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/* 36 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/*
Bytes Format Units Label Explanations
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
The document above follows the rules of the Standard Description for Astronomical Catalogues.From this documentation it is possible to generate f77 program to load files into arrays or line by line

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