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
|