BCONT 2.2

SITE UNDER CONSTRUCTION !! The code and documentation advertised below are not yet finalized, and will be available as soon as I can make time to do so.

BCONT 2.2 is a program developed by R.J. Le Roy and G.T. Kraemer which is an updated and enriched version of Le Roy's program for calculating bound-->continuum photodissociation cross sections, emission coefficients, or Golden rule predissociation rates. Significant features of the program include the abilities:

  1. to consider transitions to one or to several final continuum states.
  2. to perform least-squares fits to determine the final state potential curve and R-dependent transition moment function for each final state,
  3. to directly simulate and/or fit to branching ratios or and related intensity ratio properties, as well as total or partial absorption coefficients
Some recent illustrative applications of this updated versions of the original BCONT code are papers in the analysis of UV photolysis data for HI found in the Journal of Chemical Physics 117, 9353 (2002) and in the Journal of Physical Chemistry A 108, 7806-7813 (2004) , and a paper on the double photoionization of CO to give CO2+ in the Journal of Physics B: Atomic, Optical and Molecular Physics 37 , 3197-3214 (1004).

The source code for BCONT and the associated user manual University of Waterloo Chemical Physics Research Report CP-650R2 (2004) are distributed free of charge. However, use of this program should be acknowledged by citation of the above report. The manual presents brief summaries of the computational methodologies, but its main purpose is to provide a detailed description of the nature of the input data file and the options invoked by various input parameter choices. It is be available as a PDF file which may be read and printed from the www (see above link). The FORTRAN source code and the sample data file used to generate the sample outputs shown in the manual are automatically distributed (by e-mail) to those who fill in the following form: Download BCONT

Updates to the Code

Updates to the code or manual as of 9 February 2004 are described in the link "Updates". Users who obtained their copy of BCONT prior to that date may wish to download an updated verson if the changes/improvements described there seem useful.

I would be pleased to receive information regarding apparent or real malfunctions of this code or weakness in the documentation. However, the program should be fairly robust, and is fairly extensively commented internally. If you encounter problems obtaining a copy of the manual from the WWW, please contact me. Queries regarding this program or its distribution should be addressed to R.J. Le Roy (519) 888-4051: leroy @ uwaterloo.ca


Site owned by R.J. Le Roy: leroy @ UWaterloo.ca

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