def test_h2_one_qubit(self):
"""Test H2 with tapering."""
two_qubit_reduction = False
qubit_mapping = 'jordan_wigner'
core = Hamiltonian(transformation=TransformationType.FULL,
qubit_mapping=QubitMappingType.JORDAN_WIGNER,
two_qubit_reduction=two_qubit_reduction,
freeze_core=False,
orbital_reduction=[])
qubit_op, _ = core.run(self.molecule)
num_orbitals = core.molecule_info['num_orbitals']
num_particles = core.molecule_info['num_particles']
z2_symmetries = Z2Symmetries.find_Z2_symmetries(qubit_op)
tapered_op = z2_symmetries.taper(qubit_op)[5]
eom_ee = QEomEE(tapered_op,
num_orbitals=num_orbitals,
num_particles=num_particles,
qubit_mapping=qubit_mapping,
two_qubit_reduction=two_qubit_reduction,
z2_symmetries=tapered_op.z2_symmetries,
untapered_op=qubit_op)
result = eom_ee.run()
np.testing.assert_array_almost_equal(self.reference,
result['energies'])
def test_h2_two_qubits(self):
"""Test H2 with parity mapping."""
two_qubit_reduction = True
qubit_mapping = 'parity'
warnings.filterwarnings('ignore', category=DeprecationWarning)
core = Hamiltonian(transformation=TransformationType.FULL,
qubit_mapping=QubitMappingType.PARITY,
two_qubit_reduction=two_qubit_reduction,
freeze_core=False,
orbital_reduction=[])
warnings.filterwarnings('always', category=DeprecationWarning)
qubit_op, _ = core.run(self.molecule)
num_orbitals = core.molecule_info['num_orbitals']
num_particles = core.molecule_info['num_particles']
eom_ee = QEomEE(qubit_op,
num_orbitals=num_orbitals,
num_particles=num_particles,
qubit_mapping=qubit_mapping,
two_qubit_reduction=two_qubit_reduction)
result = eom_ee.run()
np.testing.assert_array_almost_equal(self.reference,
result['energies'])
def test_h2_four_qubits(self):
"""Test H2 with jordan wigner."""
two_qubit_reduction = False
qubit_mapping = 'jordan_wigner'
core = Hamiltonian(transformation=TransformationType.FULL,
qubit_mapping=QubitMappingType.JORDAN_WIGNER,
two_qubit_reduction=two_qubit_reduction,
freeze_core=False,
orbital_reduction=[])
qubit_op, _ = core.run(self.molecule)
num_orbitals = core.molecule_info['num_orbitals']
num_particles = core.molecule_info['num_particles']
eom_ee = QEomEE(qubit_op, num_orbitals=num_orbitals, num_particles=num_particles,
qubit_mapping=qubit_mapping, two_qubit_reduction=two_qubit_reduction)
result = eom_ee.run()
np.testing.assert_array_almost_equal(self.reference, result['energies'])