View source on GitHub
|
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 |