def test_phonon_onsite():
gs = Mps.gs(mol_list, max_entangled=False)
assert not gs.ph_occupations.any()
b2 = Mpo.ph_onsite(mol_list, r"b^\dagger", 0, 0)
p1 = b2.apply(gs).normalize()
assert np.allclose(p1.ph_occupations, [1, 0, 0, 0, 0, 0])
p2 = b2.apply(p1).normalize()
assert np.allclose(p2.ph_occupations, [2, 0, 0, 0, 0, 0])
b = b2.conj_trans()
assert b.distance(Mpo.ph_onsite(mol_list, r"b", 0, 0)) == 0
assert b.apply(p2).normalize().distance(p1) == pytest.approx(0, abs=1e-5)
def test_intersite(scheme):
local_mlist = mol_list.switch_scheme(scheme)
mpo1 = Mpo.intersite(local_mlist, {0: r"a^\dagger"}, {}, Quantity(1.0))
mpo2 = Mpo.onsite(local_mlist, r"a^\dagger", mol_idx_set=[0])
assert mpo1.distance(mpo2) == pytest.approx(0, abs=1e-5)
mpo3 = Mpo.intersite(local_mlist, {2: r"a^\dagger a"}, {}, Quantity(1.0))
mpo4 = Mpo.onsite(local_mlist, r"a^\dagger a", mol_idx_set=[2])
assert mpo3.distance(mpo4) == pytest.approx(0, abs=1e-5)
mpo5 = Mpo.intersite(local_mlist, {2: r"a^\dagger a"}, {}, Quantity(0.5))
assert mpo5.add(mpo5).distance(mpo4) == pytest.approx(0, abs=1e-5)
mpo6 = Mpo.intersite(local_mlist, {
0: r"a^\dagger",
2: "a"
}, {}, Quantity(1.0))
mpo7 = Mpo.onsite(local_mlist, "a", mol_idx_set=[2])
assert mpo2.apply(mpo7).distance(mpo6) == pytest.approx(0, abs=1e-5)
# the tests are based on the similarity between scheme 2 and scheme 3
# so scheme 3 and scheme 4 will be skipped
if scheme == 2:
mpo8 = Mpo(local_mlist)
# a dirty hack to switch from scheme 2 to scheme 3
test_mlist = local_mlist.switch_scheme(2)
test_mlist.scheme = 3
mpo9 = Mpo(test_mlist)
mpo10 = Mpo.intersite(test_mlist, {
0: r"a^\dagger",
2: "a"
}, {}, Quantity(local_mlist.j_matrix[0, 2]))
mpo11 = Mpo.intersite(test_mlist, {
2: r"a^\dagger",
0: "a"
}, {}, Quantity(local_mlist.j_matrix[0, 2]))
assert mpo11.conj_trans().distance(mpo10) == pytest.approx(0, abs=1e-6)
assert mpo8.distance(mpo9 + mpo10 + mpo11) == pytest.approx(0,
abs=1e-6)
test_mlist.periodic = True
mpo12 = Mpo(test_mlist)
assert mpo12.distance(mpo9 + mpo10 + mpo11) == pytest.approx(0,
abs=1e-6)
ph_mpo1 = Mpo.ph_onsite(local_mlist, "b", 1, 1)
ph_mpo2 = Mpo.intersite(local_mlist, {}, {(1, 1): "b"})
assert ph_mpo1.distance(ph_mpo2) == pytest.approx(0, abs=1e-6)
def test_intersite(scheme):
local_mlist = holstein_model.switch_scheme(scheme)
mpo1 = Mpo.intersite(local_mlist, {0: r"a^\dagger"}, {}, Quantity(1.0))
mpo2 = Mpo.onsite(local_mlist, r"a^\dagger", dof_set=[0])
assert mpo1.distance(mpo2) == pytest.approx(0, abs=1e-5)
mpo3 = Mpo.intersite(local_mlist, {2: r"a^\dagger a"}, {}, Quantity(1.0))
mpo4 = Mpo.onsite(local_mlist, r"a^\dagger a", dof_set=[2])
assert mpo3.distance(mpo4) == pytest.approx(0, abs=1e-5)
mpo5 = Mpo.intersite(local_mlist, {2: r"a^\dagger a"}, {}, Quantity(0.5))
assert mpo5.add(mpo5).distance(mpo4) == pytest.approx(0, abs=1e-5)
mpo6 = Mpo.intersite(local_mlist, {
0: r"a^\dagger",
2: "a"
}, {}, Quantity(1.0))
mpo7 = Mpo.onsite(local_mlist, "a", dof_set=[2])
assert mpo2.apply(mpo7).distance(mpo6) == pytest.approx(0, abs=1e-5)
mpo8 = Mpo.intersite(local_mlist, {
0: r"a^\dagger",
2: "a"
}, {}, Quantity(local_mlist.j_matrix[0, 2]))
mpo9 = Mpo.intersite(local_mlist, {
2: r"a^\dagger",
0: "a"
}, {}, Quantity(local_mlist.j_matrix[0, 2]))
assert mpo9.conj_trans().distance(mpo8) == pytest.approx(0, abs=1e-6)
ph_mpo1 = Mpo.ph_onsite(local_mlist, "b", 1, 1)
ph_mpo2 = Mpo.intersite(local_mlist, {}, {(1, 1): "b"})
assert ph_mpo1.distance(ph_mpo2) == pytest.approx(0, abs=1e-6)
def test_general_mpo_others():
mol_list2 = MolList2.MolList_to_MolList2(mol_list)
# onsite
mpo_std = Mpo.onsite(mol_list, r"a^\dagger", mol_idx_set=[0])
mpo = Mpo.onsite(mol_list2, r"a^\dagger", mol_idx_set=[0])
check_result(mpo, mpo_std)
# general method
mpo = Mpo.general_mpo(mol_list2,
model={("e_0", ): [(Op(r"a^\dagger", 0), 1.0)]},
model_translator=ModelTranslator.general_model)
check_result(mpo, mpo_std)
mpo_std = Mpo.onsite(mol_list, r"a^\dagger a", dipole=True)
mpo = Mpo.onsite(mol_list2, r"a^\dagger a", dipole=True)
check_result(mpo, mpo_std)
mpo = Mpo.general_mpo(mol_list2,
model={
("e_0", ):
[(Op(r"a^\dagger a",
0), mol_list2.dipole[("e_0", )])],
("e_1", ):
[(Op(r"a^\dagger a",
0), mol_list2.dipole[("e_1", )])],
("e_2", ): [(Op(r"a^\dagger a",
0), mol_list2.dipole[("e_2", )])]
},
model_translator=ModelTranslator.general_model)
check_result(mpo, mpo_std)
# intersite
mpo_std = Mpo.intersite(mol_list, {
0: r"a^\dagger",
2: "a"
}, {(0, 1): "b^\dagger"}, Quantity(2.0))
mpo = Mpo.intersite(mol_list2, {
0: r"a^\dagger",
2: "a"
}, {(0, 1): r"b^\dagger"}, Quantity(2.0))
check_result(mpo, mpo_std)
mpo = Mpo.general_mpo(mol_list2,
model={
("e_0", "e_2", "v_1"):
[(Op(r"a^\dagger",
1), Op(r"a", -1), Op(r"b^\dagger", 0), 2.0)]
},
model_translator=ModelTranslator.general_model)
check_result(mpo, mpo_std)
# phsite
mpo_std = Mpo.ph_onsite(mol_list, r"b^\dagger", 0, 0)
mpo = Mpo.ph_onsite(mol_list2, r"b^\dagger", 0, 0)
check_result(mpo, mpo_std)
mpo = Mpo.general_mpo(mol_list2,
model={
(mol_list2.map[(0, 0)], ): [(Op(r"b^\dagger",
0), 1.0)]
},
model_translator=ModelTranslator.general_model)
check_result(mpo, mpo_std)