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Build a 3-RDM by cumulant expansion and setting 3rd cumulant to zero
openfermion.linalg.valdemoro_reconstruction(
tpdm, n_electrons
)
d3 approx = D ^ D ^ D + 3 (2C) ^ D
tpdm has normalization (n choose 2) where n is the number of electrons
Args | |
---|---|
tpdm (np.ndarray): four-tensor representing the two-RDM n_electrons (int): number of electrons in the system |
Returns | |
---|---|
six-tensor reprsenting the three-RDM |