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Unify orbital ordering of FermiHubbardModel with ElectronicEnergy… #1245

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Unify orbital ordering of FermiHubbardModel with ElectronicEnergy… #1245

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17 changes: 9 additions & 8 deletions qiskit_nature/second_q/hamiltonians/fermi_hubbard_model.py
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Original file line number Diff line number Diff line change
Expand Up @@ -77,31 +77,32 @@ def second_q_op(self) -> FermionicOp:
kinetic_ham = {}
interaction_ham = {}
weighted_edge_list = self._lattice.weighted_edge_list
register_length = 2 * self._lattice.num_nodes
num_nodes = self._lattice.num_nodes
register_length = 2 * num_nodes
# kinetic terms
for spin in range(2):
for node_a, node_b, weight in weighted_edge_list:
if node_a == node_b:
index = 2 * node_a + spin
index = node_a + spin * num_nodes
kinetic_ham[f"+_{index} -_{index}"] = weight

else:
if node_a < node_b:
index_left = 2 * node_a + spin
index_right = 2 * node_b + spin
index_left = node_a + spin * num_nodes
index_right = node_b + spin * num_nodes
hopping_parameter = weight
elif node_a > node_b:
index_left = 2 * node_b + spin
index_right = 2 * node_a + spin
index_left = node_b + spin * num_nodes
index_right = node_a + spin * num_nodes
hopping_parameter = np.conjugate(weight)
kinetic_ham[f"+_{index_left} -_{index_right}"] = hopping_parameter
kinetic_ham[f"-_{index_left} +_{index_right}"] = -np.conjugate(
hopping_parameter
)
# on-site interaction terms
for node in self._lattice.node_indexes:
index_up = 2 * node
index_down = 2 * node + 1
index_up = node
index_down = node + num_nodes
interaction_ham[
f"+_{index_up} -_{index_up} +_{index_down} -_{index_down}"
] = self._onsite_interaction
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