Getting the Slater determinants from the CSF configuration?


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Posted by Jesús González-Vázquez on February 21, 2013 at 18:53:25:

Dear MOLCAS developers,

I am working with the RASSCF program and I need to get the amplitude of the wavefunction for every Slater determinant. However, I see that MOLCAS only provides the amplitude of the CSFs.

Is it possible to get these amplitudes?

Alternatively, Is there a way to print the combination of Slater Determinants of these CSFs?

Thank you very much,

Jesús González-Vázquez


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