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Function to calculate the 1-Norm of a molecular Hamiltonian in spatial orbital basis after fermion-to-qubit transformation.
See https://arxiv.org/abs/2103.14753 for more information on the 1-norm.
Functions
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.
get_one_norm_int_woconst(...): Returns 1-norm, emitting the constant term in the qubit Hamiltonian.
get_one_norm_mol(...): 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 a MolecularData class.
get_one_norm_mol_woconst(...): Returns 1-norm, emitting the constant term in the qubit Hamiltonian.