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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.

Parameters

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

one_norm : 1-Norm of the qubit Hamiltonian