Small-molecule program utilizing s-function basis sets III : CI Matrices - Maple Application Center
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Small-molecule program utilizing s-function basis sets III : CI Matrices

Authors
: Hanspeter Huber
0
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This application discusses a CI program for small molecules utilizing basis-sets consisting of s-functions (spherical Gaussians) only. For this example, data is read from file, which were generated by the ab initio SCF-program.

Application Details

Publish Date: June 20, 2001
Created In: Maple V
Language: English
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quantum-mechanics

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