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Topic: How can we retrieve CISD coefficients in Gaussian software?  (Read 1800 times)

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Offline mgordi

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How can we retrieve CISD coefficients in Gaussian software?
« on: September 26, 2014, 08:44:25 AM »
I'm using Configuration Interaction (CI) method by Gaussian software.
For a detailed analysis, I need to know the coefficients of the CIS (CISD) wave function, but don't know how these coefficients can be obtained from the Checkpoint file, Can anyone help me?
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