openfermion.functionals.get_one_norm_int

Returns the 1-Norm of a RHF or ROHF Hamiltonian described in https://arxiv.org/abs/2103.14753 after a fermion-to-qubit transformation given nuclear constant, one-body (2D np.array) and two-body (4D np.array) integrals in spatial orbital basis.

View aliases

Main aliases

openfermion.functionals.get_one_norm.get_one_norm_int, openfermion.get_one_norm_int

openfermion.functionals.get_one_norm_int(
    constant: float,
    one_body_integrals: np.ndarray,
    two_body_integrals: np.ndarray
)

Args
`constant`	`float` Nuclear repulsion or adjustment to constant shift in Hamiltonian from integrating out core orbitals.
`one_body_integrals`	`ndarray` An array of the one-electron integrals having shape of (n_orb, n_orb), where n_orb is the number of spatial orbitals.
`two_body_integrals`	`ndarray` An array of the two-electron integrals having shape of (n_orb, n_orb, n_orb, n_orb).

Args

constant

float

Nuclear repulsion or adjustment to constant shift in Hamiltonian from integrating out core orbitals.

one_body_integrals

ndarray

An array of the one-electron integrals having shape of (n_orb, n_orb), where n_orb is the number of spatial orbitals.

two_body_integrals

ndarray

An array of the two-electron integrals having shape of (n_orb, n_orb, n_orb, n_orb).

Returns
A 1-Norm of the qubit Hamiltonian