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J/MNRAS/425/34      ExoMol line lists for BeH, MgH and CaH   (Yadin+, 2012)

ExoMol line lists. I: The rovibrational spectrum of BeH, MgH and CaH in the X 2Sigma+ state. Yadin B., Veness T., Conti P., Hill C., Yurchenko S.N., Tennyson J. <Mon. Not. R. Astron. Soc. 425, 34 (2012)> =2012MNRAS.425...34Y
ADC_Keywords: Atomic physics ; Models, atmosphere ; Spectra, infrared ; Spectra, ultraviolet Keywords: molecular data - opacity - astronomical data bases: miscellaneous - planets and satellites: atmospheres - stars: low-mass Abstract: Accurate line lists for three molecules, BeH, MgH and CaH, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 2000K). A combination of empirical and ab initio methods is used. The rovibrational energy levels of BeH, MgH and CaH are computed using the programs Level and DPotFit in conjunction with 'spectroscopic' potential energy curves (PECs). The PEC of BeH is taken from the literature, while the PECs of CaH and MgH are generated by fitting to the experimental transition energy levels. Both spin-rotation interactions (except for BeH, for which it is negligible) and non-adiabatic corrections are explicitly taken into account. Accurate line intensities are generated using newly computed ab initio dipole moment curves for each molecule using high levels of theory. Full line lists of rotation-vibration transitions for 9BeH, 24MgH, 25MgH, 26MgH and ^40CaH are made available in an electronic form as supplementary data to this article and at www.exomol.com . Description: Each file contains transitions for a given species ordered by increasing frequency and represented by the transition frequency (cm-1), Einstein coefficient (s-1), energy term value of the lower state (cm-1), quantum numbers labelling the upper and lower states. The ro-vibrational states are labelled with the rotational angular momentum N, rotationless parity e/f, and the vibrational quantum number v. File Summary:
FileName Lrecl Records Explanations
ReadMe 80 . This file beh.dat 50 3968 The line lists for BeH cah.dat 54 24845 The line lists for CaH mgh-24.dat 54 6716 The line lists for 24MgH mgh-25.dat 54 6751 The line lists for 25MgH mgh-26.dat 54 6754 The line lists for 26MgH
See also: J/MNRAS/434/1469 : ExoMol line lists. II. SiO (Barton+, 2013) 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 list for CH4 (Yurchenko+, 2014) J/MNRAS/442/1821 : ExoMol line list for NaCl and KCl (Barton+, 2014) J/MNRAS/446/2337 : ExoMol line list for PH3 (Sousa-Silva+, 2015) www.exomol.com : ExoMol Home Page Byte-by-byte Description of file: beh.dat
Bytes Format Units Label Explanations
1- 12 F12.6 cm-1 nu Transition frequency ν 14- 25 E12.7 s-1 A Einstein A coefficient of transition 27- 38 F12.6 cm-1 E Energy term value of the lower state 40- 41 I2 --- N' [0/59] Rotational angular momentum, upper state 43- 44 I2 --- v' [0/11] Vibrational quantum number, upper state 46- 47 I2 --- N" [0/58] Rotational angular momentum, lower state 49- 50 I2 --- v" [0/11] Vibrational quantum number, lower state
Byte-by-byte Description of file: cah.dat mgh-24.dat mgh-25.dat mgh-26.dat
Bytes Format Units Label Explanations
1- 12 F12.6 cm-1 nu Transition frequency 14- 25 E12.7 s-1 A Einstein A coefficient of transition 27- 38 F12.6 cm-1 E Energy term value of the lower state 40- 41 I2 --- N' [0/75] Rotational angular momentum, upper state 43 A1 --- p' [e/f] Rotationless parity, upper state 45- 46 I2 --- v' [0/20] Vibrational quantum number, upper state 48- 49 I2 --- N" [0/75] Rotational angular momentum, lower state 51 A1 --- p" [e/f] Rotationless parity, lower state 53- 54 I2 --- v" [0/20] Vibrational quantum number, lower state
Acknowledgements: Jonathan Tennyson, j.tennyson(at)ucl.ac.uk Sergei N. Yurchenko, s.yurchenko(at)chemie.tu-dresden.de Christian Hill, christian.hill(at)ucl.ac.uk References: Yadin et al., Paper I 2012MNRAS.425...34Y, Cat. J/MNRAS/425/34 Barton et al., Paper II 2013MNRAS.434.1469B, Cat. J/MNRAS/434/1469 Barber et al., Paper III 2014MNRAS.437.1828B, Cat. J/MNRAS/427/1828 Yurchenko et al., Paper IV 2014MNRAS.440.1649Y, Cat. J/MNRAS/440/1649 Barton et al., Paper V 2014MNRAS.442.1821B, Cat. J/MNRAS/442/1821 Yorke et al., Paper VI 2014MNRAS.445.1383Y Sousa-Silva et al., Paper VII 2015MNRAS.446.2337A, Cat. J/MNRAS/446/2337
(End) Sergei Yurchenko [Univ. Col. London], Patricia Vannier [CDS] 07-May-2012
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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