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DOCI 4RDM #85

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DanielCalero1 opened this issue Dec 10, 2024 · 0 comments
Open

DOCI 4RDM #85

DanielCalero1 opened this issue Dec 10, 2024 · 0 comments
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enhancement New feature or request

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Would be nice to implement in the near future the computation of the 4RDM for DOCI wave-functions. This computation can be added to the function compute_rdms_34 in the source code.

The non-zero elements of the DOCI-4RDM are pretty straightforward to compute, as are the non-zero spin blocks of the 4RDM. The major complication in its implementation is figure out the best way to include all the symmetries the 4RDM has. I think I can do my best to implement this as soon as possible.
@DanielCalero1 DanielCalero1 added the enhancement New feature or request label Dec 10, 2024
@DanielCalero1 DanielCalero1 self-assigned this Dec 10, 2024
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