openfermion.ops.representations.doci_hamiltonian.get_doci_from_integrals

Construct a DOCI Hamiltonian from electron integrals

openfermion.ops.representations.doci_hamiltonian.get_doci_from_integrals(
    one_body_integrals, two_body_integrals
)

Args
one_body_integrals [numpy array]: one-electron integrals two_body_integrals [numpy array]: two-electron integrals

Returns
hc [numpy array]: The single-particle DOCI terms in matrix form hr1 [numpy array]: The off-diagonal DOCI Hamiltonian terms in matrix form hr2 [numpy array]: The diagonal DOCI Hamiltonian terms in matrix form

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Last updated 2024-04-26 UTC.

Args