Small-molecule program utilizing s-function basis sets I: SCF - Maple Application Center
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Small-molecule program utilizing s-function basis sets I: SCF

Authors
: Hanspeter Huber
1
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Ab initio program for small molecules utilizing basis-sets consisting of s-functions (spherical Gaussians) only. In this example, there are 2 nuclei and 2 basis functions on each nucleus therefore 4 basis functions.

Application Details

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

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