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VI/119 High accuracy computed water line list - BT2 (Barber+, 2006)
The following files can be converted to FITS (extension .fit .fgz or .fiZ)
*-BT2.txt levels.dat
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Query from: http://vizier.cds.unistra.fr/viz-bin/VizieR?-source=VI/119
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-r--r--r-- 1 cats archive 2119414 Feb 21 2006 levels.dat.bz2 [txt] [txt.gz] [fits] [fits.gz] [html]
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-r--r--r-- 1 cats archive 41430 Jan 12 2006 spectra-BT2.f90 Beginning of ReadMe :VI/119 High accuracy computed water line list - BT2 (Barber+, 2006)
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A high accuracy computed water line list - BT2.
Barber R.J., Tennyson J., Harris G.J., Tolchenov R.N.
<Mon. Not. R. Astron. Soc. 368, 1087 (2006)>
=2006MNRAS.368.1087B
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ADC_Keywords: Atomic physics
Keywords: water - line list - BT2 - molecular spectra
Abstract:
A computed list of H2O infra-red transition frequencies and
intensities is presented. The list, BT2 was produced using a discrete
variable representation two-step approach for solving the
rotation-vibration nuclear motions. It is the most complete water line
list in existence, comprising over 500 million transitions (65% more
than any other list) and is also the most accurate (over 90% of all
experimental levels are within 0.3cm^-1^ of the BT2 values). Its
accuracy has been confirmed by extensive testing against astronomical
and laboratory data.
The line list has been used to identify water lines in a variety of
objects including: comets, sunspots, a brown dwarf and the nova-like
object V838 Mon. Comparison of the observed intensities with those
generated by BT2 enables physical values to be derived for these
objects. The line list can also be used to provide an opacity for
models of the atmospheres of M-dwarf stars and assign previously
unknown water lines in laboratory spectra.
Description:
The data are in two parts. The first, the 'Levels File' (levels.dat)
is a list of 221,097 energy levels, ordered by J and symmetry block.
About 25,000 of these energy levels have been labelled with the
appropriate angular momentum (J,Ka,Kc) and vibrational (v1,v2,v3)
quantum numbers. The second part of BT2 is the 'Transitions File'.
This has 505,806,202 entries. Each transition references upper and
lower energy levels in the Levels File and gives the Einstein Aif
coefficient for the transition. In uncompressed form the BT2
Transitions File is 12.6Gb of data. Therefore, in order to facilitate
use of the list, the transitions have been ordered by frequency and
separated into 16 smaller files, each representing a specific
frequency range. These have labels of the form 02750-03500-BT2.txt
where the two five digit numbers represent the lower and upper ends of
the frequency range for that particular file. These files are zipped
and need to be unzipped using the command 'bunzip2 filename'.
In addition to the files containing the actual line list, we have
provided a Fortran program, spectra-BT2.f90 that, when compiled on the
user's computer, will produce an executable file. This will enable the
user to generate emission or absorption spectra from BT2 by specifying
various parameters including: temperature, frequency range, cut-off
intensity and line width. There is also the facility to generate
spectra with full ro-vibrational assignments if required. The method
of using spectra-BT2 is detailed in the 'readme-spectra' file and
there are also examples of a job file and an output file. It is
ESSENTIAL to rename or else set up a symbolic link to the Levels File
as: 'fort.80'. Also, spectra-BT2.f90 expects a single input
transitions file, so if the frequency range required spans more than
one of the frequency-ordered files, these must be concatenated to form
a single file. In any event, it is ESSENTIAL to rename or else set up
a symbolic link to the file containing the transitions as: 'fort.13'