def test_excitation_preserving(self):
"""Test the excitation preserving wavefunction on a chemistry example."""
driver = HDF5Driver(self.get_resource_path('test_driver_hdf5.hdf5'))
fermionic_transformation = FermionicTransformation(
qubit_mapping=QubitMappingType.PARITY, two_qubit_reduction=False)
qubit_op, _ = fermionic_transformation.transform(driver)
optimizer = SLSQP(maxiter=100)
initial_state = HartreeFock(
fermionic_transformation.molecule_info['num_orbitals'],
fermionic_transformation.molecule_info['num_particles'],
qubit_mapping=fermionic_transformation._qubit_mapping,
two_qubit_reduction=fermionic_transformation._two_qubit_reduction)
wavefunction = ExcitationPreserving(qubit_op.num_qubits)
wavefunction.compose(initial_state, front=True, inplace=True)
solver = VQE(var_form=wavefunction,
optimizer=optimizer,
quantum_instance=QuantumInstance(
BasicAer.get_backend('statevector_simulator'),
seed_simulator=aqua_globals.random_seed,
seed_transpiler=aqua_globals.random_seed))
gsc = GroundStateEigensolver(fermionic_transformation, solver)
result = gsc.solve(driver)
self.assertAlmostEqual(result.total_energies[0],
self.reference_energy,
places=4)
def test_excitation_preserving(self):
"""Test the excitation preserving wavefunction on a chemistry example."""
driver = HDF5Driver(
self.get_resource_path("test_driver_hdf5.hdf5",
"second_q/drivers/hdf5d"))
converter = QubitConverter(ParityMapper())
problem = ElectronicStructureProblem(driver)
_ = problem.second_q_ops()
particle_number = cast(
ParticleNumber,
problem.grouped_property_transformed.get_property(ParticleNumber))
num_particles = (particle_number.num_alpha, particle_number.num_beta)
num_spin_orbitals = particle_number.num_spin_orbitals
optimizer = SLSQP(maxiter=100)
initial_state = HartreeFock(num_spin_orbitals, num_particles,
converter)
wavefunction = ExcitationPreserving(num_spin_orbitals)
wavefunction.compose(initial_state, front=True, inplace=True)
solver = VQE(
ansatz=wavefunction,
optimizer=optimizer,
quantum_instance=QuantumInstance(
BasicAer.get_backend("statevector_simulator"),
seed_simulator=algorithm_globals.random_seed,
seed_transpiler=algorithm_globals.random_seed,
),
)
gsc = GroundStateEigensolver(converter, solver)
result = gsc.solve(problem)
self.assertAlmostEqual(result.total_energies[0],
self.reference_energy,
places=4)