def test_quartic(verbose=False):
if verbose:
print '--> test_quartic'
num_orbitals = 2
num_spins = 2
U, J = 1.0, 0.2
up, do = 0, 1
spin_names = [up, do]
orb_names = range(num_orbitals)
U_ab, UPrime_ab = U_matrix_kanamori(n_orb=2, U_int=U, J_hund=J)
if verbose:
print 'U_ab =\n', U_ab
print 'UPrime_ab =\n', UPrime_ab
T_ab = np.array([
[1., 1.],
[1., -1.],
]) / np.sqrt(2.)
# -- Check hermitian
np.testing.assert_array_almost_equal(np.mat(T_ab) * np.mat(T_ab).H, np.eye(2))
I = np.eye(num_spins)
T_ab_spin = np.kron(T_ab, I)
H_int = h_int_kanamori(
spin_names, orb_names, U_ab, UPrime_ab, J_hund=J,
off_diag=True, map_operator_structure=None, H_dump=None)
op_imp = [c(up,0), c(do,0), c(up,1), c(do,1)]
Ht_int = operator_single_particle_transform(H_int, T_ab_spin, op_imp)
if verbose:
print 'H_int =', H_int
print 'Ht_int =', Ht_int
from transform_kanamori import h_int_kanamori_transformed
Ht_int_ref = h_int_kanamori_transformed(
[T_ab, T_ab], spin_names, orb_names, U_ab, UPrime_ab, J_hund=J,
off_diag=True, map_operator_structure=None, H_dump=None)
if verbose:
print 'Ht_int_ref =', Ht_int_ref
assert( (Ht_int_ref - Ht_int).is_zero() )
def test_single_particle_transform(verbose=False):
if verbose:
print('--> test_single_particle_transform')
h_loc = np.array([
[1.0, 0.0],
[0.0, -1.0],
])
op_imp = [c(0, 0), c(0, 1)]
H_loc = get_quadratic_operator(h_loc, op_imp)
H_loc_ref = c_dag(0, 0) * c(0, 0) - c_dag(0, 1) * c(0, 1)
assert ((H_loc - H_loc_ref).is_zero())
h_loc_ref = quadratic_matrix_from_operator(H_loc, op_imp)
np.testing.assert_array_almost_equal(h_loc, h_loc_ref)
if verbose:
print('h_loc =\n', h_loc)
print('h_loc_ref =\n', h_loc_ref)
print('H_loc =', H_loc)
T_ab = np.array([
[1., 1.],
[1., -1.],
]) / np.sqrt(2.)
Ht_loc = operator_single_particle_transform(H_loc, T_ab, op_imp)
ht_loc = quadratic_matrix_from_operator(Ht_loc, op_imp)
ht_loc_ref = np.array([
[0., 1.],
[1., 0.],
])
Ht_loc_ref = c_dag(0, 0) * c(0, 1) + c_dag(0, 1) * c(0, 0)
if verbose:
print('ht_loc =\n', ht_loc)
print('ht_loc_ref =\n', ht_loc_ref)
print('Ht_loc =', Ht_loc)
print('Ht_loc_ref =', Ht_loc_ref)
assert ((Ht_loc - Ht_loc_ref).is_zero())
J_hund=p.J)
H_int = h_int_kanamori(p.spin_names,
p.orb_names,
U_ab,
UPrime_ab,
J_hund=p.J,
off_diag=True,
map_operator_structure=None,
H_dump=None)
p.H_int = relabel_operators(H_int, p.spin_block_ops, p.org_ops)
# -- Complete 2site + 2bath Hamiltonian
p.H = p.H_loc + p.H_bath + p.H_int
# -- Single particle transformed Hamiltonian
p.Ht = operator_single_particle_transform(p.H, p.T, p.op_imp)
p.Ht_int = operator_single_particle_transform(p.H_int, p.T, p.op_imp)
# ------------------------------------------------------------------
# -- Store to hdf5
if mpi.is_master_node():
with HDFArchive('data_model.h5', 'w') as res:
res['p'] = p
# ----------------------------------------------------------------------