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The Sigma
Program
 We
have developed a computer program for calculating theoretical cross sections
of model structures based on the Cartesian coordinates of the atoms in
the molecule. This program, called sigma, uses an algorithm which
is sometimes referred to as the projection approximation and employs Monte
Carlo integration. The program package can be obtained from us by people
working in the field. Requests should be sent to Thomas Wyttenbach at
wyttenbach@chem.ucsb.edu.
We obviously cannot guarantee accurate results nor proper performance
and we apologize for unprofessional coding. Some information about the
program can be found here:
- Algorithm
and Software Package Description - This is the README file for the
sigma program package. It includes some theory regarding the
projection approximation as well as a description of the files included
in the package and instructions for compiling and running the program.
-
Lennard-Jones Potential - Details
concerning the helium-ion interaction including Lennard-Jones parameters
used in sigma.
-
Software Version History - A log of changes
made to the sigma program.
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