def test_spin_symmetric_bogoliubov_transform(
n_spatial_orbitals,
conserves_particle_number,
atol=5e-5):
n_qubits = 2*n_spatial_orbitals
qubits = LineQubit.range(n_qubits)
# Initialize a random quadratic Hamiltonian
quad_ham = random_quadratic_hamiltonian(
n_spatial_orbitals,
conserves_particle_number,
real=True,
expand_spin=True,
seed=28166)
# Reorder the Hamiltonian and get sparse matrix
quad_ham = openfermion.get_quadratic_hamiltonian(
openfermion.reorder(
openfermion.get_fermion_operator(quad_ham),
openfermion.up_then_down)
)
quad_ham_sparse = get_sparse_operator(quad_ham)
# Compute the orbital energies and transformation_matrix
up_orbital_energies, _, _ = (
quad_ham.diagonalizing_bogoliubov_transform(spin_sector=0))
down_orbital_energies, _, _ = (
quad_ham.diagonalizing_bogoliubov_transform(spin_sector=1))
_, transformation_matrix, _ = (
quad_ham.diagonalizing_bogoliubov_transform())
# Pick some orbitals to occupy
up_orbitals = list(range(2))
down_orbitals = [0, 2, 3]
energy = sum(up_orbital_energies[up_orbitals]) + sum(
down_orbital_energies[down_orbitals]) + quad_ham.constant
# Construct initial state
initial_state = (
sum(2**(n_qubits - 1 - int(i)) for i in up_orbitals)
+ sum(2**(n_qubits - 1 - int(i+n_spatial_orbitals))
for i in down_orbitals)
)
# Apply the circuit
circuit = cirq.Circuit.from_ops(
bogoliubov_transform(
qubits, transformation_matrix, initial_state=initial_state))
state = circuit.apply_unitary_effect_to_state(initial_state)
# Check that the result is an eigenstate with the correct eigenvalue
numpy.testing.assert_allclose(
quad_ham_sparse.dot(state), energy * state, atol=atol)
def test_prepare_gaussian_state_with_spin_symmetry(n_spatial_orbitals,
conserves_particle_number,
occupied_orbitals,
initial_state,
atol=1e-5):
n_qubits = 2 * n_spatial_orbitals
qubits = LineQubit.range(n_qubits)
# Initialize a random quadratic Hamiltonian
quad_ham = random_quadratic_hamiltonian(
n_spatial_orbitals,
conserves_particle_number,
real=True,
expand_spin=True,
seed=639)
# Reorder the Hamiltonian and get sparse matrix
quad_ham = openfermion.get_quadratic_hamiltonian(
openfermion.reorder(
openfermion.get_fermion_operator(quad_ham),
openfermion.up_then_down)
)
quad_ham_sparse = get_sparse_operator(quad_ham)
# Compute the energy of the desired state
energy = 0.0
for spin_sector in range(2):
orbital_energies, _, _ = (
quad_ham.diagonalizing_bogoliubov_transform(
spin_sector=spin_sector)
)
energy += sum(orbital_energies[i]
for i in occupied_orbitals[spin_sector])
energy += quad_ham.constant
# Get the state using a circuit simulation
circuit = cirq.Circuit.from_ops(
prepare_gaussian_state(
qubits, quad_ham, occupied_orbitals,
initial_state=initial_state))
if isinstance(initial_state, list):
initial_state = sum(1 << (n_qubits - 1 - i) for i in initial_state)
state = circuit.apply_unitary_effect_to_state(initial_state)
# Check that the result is an eigenstate with the correct eigenvalue
numpy.testing.assert_allclose(
quad_ham_sparse.dot(state), energy * state, atol=atol)
