Least-Squares Fit of a 1s CGTO to a 1s STO (Quantum Chemistry)

This application fits a contracted Gaussian type 1s orbital to a Slater type 1s orbital using either an evolutionary hill-climber or the Gauss-Newton method of solving the least-squares fit problem. This project should build as is using Visual Studio 2008.

C# (363.7 KB)
 
 
 
 
 
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5/6/2015
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