H2 Correlated GG Project

What This Distribution Contains

1. All work product related to the H2 Correlated GG Project:

   • Fortran77 Code
   • Fortran90 Code
   • Mathematica Files for the derivatives
   • Sigma Plot Files of compiled data
   • Sample input files
   • Sample output files
   • International Journal of Quantum Chemistry (LaTeX) Paper

2. Installation software for most of the packages used:

   • GhostView (to view PostScript files)
   • Maple 5 (to Fortran optimize the derivative code)
   • MathCAD (for preliminary prototyping)
   • Mathematica (for computation of the derivatives)
   • MatLab (for testing data structures / linear algebra)
   • Scientific WorkPlace (for generating the LaTeX paper)
   • Sigma Plot (for rendering data into graphs)
   • Surfer (for Potential Energy Surface work)
   • Winzip (to compress/decompress files for archiving)

Development History

There were several different versions of the H2 Project program at various stages of development. Initially, there was Zhang's code, then came prototyping in "H2PROJ". The latest version (generating the preliminary results for the paper) is contained in "CGAUSS."

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Doug Gilmore | Graduate Student | eMail: dgilmore@aruba.ccit.arizona.edu
Quantum Chemistry/Physics | The University of Arizona | Dept. of Chemistry
Old Chemistry #331 | Tucson, AZ 85721 | Fax: 520.621.8407 | Office: 621.6761
[www: http://www.u.arizona.edu/~dgilmore](http://www.u.arizona.edu/~dgilmore)

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