CCSD single and doubles amplitudes

Started by prasanta13, September 08, 2023, 01:00:54 PM

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prasanta13

September 08, 2023, 01:00:54 PM
How can I obtain the CCSD singles and doubles amplitudes? I need them to create a 2particle density matrix.

christof.haettig

#1
March 24, 2024, 05:02:11 PM
The file with the singles amplitudes can be read and converged to ASCII with the ricctools program. But there is no such option yet for the doubles amplitudes.
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