Implements a reverse_map() method for JordanWignerMapper().

qiskit_nature/second_q/mappers/jordan_wigner_mapper.py

@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2021, 2023.
+# (C) Copyright IBM 2021, 2024.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -19,7 +19,9 @@
 import numpy as np
 
 from qiskit.quantum_info.operators import Pauli
+from qiskit.quantum_info import SparsePauliOp
 
+from qiskit_nature.second_q.operators import FermionicOp
 from .fermionic_mapper import FermionicMapper
 
 
@@ -41,5 +43,65 @@ def pauli_table(cls, register_length: int) -> list[tuple[Pauli, Pauli]]:
             # c_x = np.asarray([0] * register_length, dtype=bool)
             pauli_table.append((Pauli((a_z, a_x)), Pauli((b_z, b_x))))
             # TODO add Pauli 3-tuple to lookup table
-
         return pauli_table
+
+    @classmethod
+    def reverse_map(cls, qubit_op: SparsePauliOp) -> FermionicOp:
+        """Maps a qubit operator ``SparsePauliOp`` back into the second quantized
+        operator ``FermionicOp``. While it'll provide an output for any ``SparsePauliOp``
+        operator, it should be used on operators that were created with
+        ``JordanWignerMapper`` to ensure accurate results.
+
+        Args:
+            qubit_op: The qubit operator ``SparsePauliOp`` to be mapped.
+
+        Returns:
+            The second quantized operator ``FermionicOp`` corresponding to
+            the Hamiltonian in the Fermionic space.
+        """
+        num_qubits = (
+            qubit_op.num_qubits
+        )  # get number of qubits from input second quantized operator
+        qubit_op = cls.__invert_pauli_terms(qubit_op)
+        total_fermionic_op = FermionicOp.zero()
+        for term in qubit_op:
+            coef_term = term.coeffs[0]
+            target_pauli_op = term.paulis[0]
+            ferm_term_ops = []
+            for i in range(num_qubits):
+                one_pauli = target_pauli_op[num_qubits - 1 - i]
+                pauli_char = one_pauli.to_label()
+                if pauli_char == "Z":  # dealing Pauli Z op
+                    ferm_op_pauli = FermionicOp({"": 1, f"+_{i} -_{i}": -2})
+                elif pauli_char == "X":  # dealing Pauli X op
+                    ferm_op_pauli = FermionicOp({f"+_{i}": 1, f"-_{i}": 1})
+                    target_pauli_op = Pauli("I" * (i + 1) + "Z" * (num_qubits - i - 1)).compose(
+                        target_pauli_op
+                    )
+                elif one_pauli.to_label() == "Y":  # dealing Pauli Y op
+                    ferm_op_pauli = FermionicOp({f"+_{i}": -1j, f"-_{i}": 1j})
+                    target_pauli_op = Pauli("I" * (i + 1) + "Z" * (num_qubits - i - 1)).compose(
+                        target_pauli_op
+                    )
+                else:
+                    ferm_op_pauli = FermionicOp.one()
+                ferm_term_ops.append(ferm_op_pauli)
+            term_fermionic_op = FermionicOp.one()
+            for op in ferm_term_ops:
+                term_fermionic_op = term_fermionic_op @ op
+            if target_pauli_op.phase == 1:
+                coef_term *= -1j
+            elif target_pauli_op.phase == 2:
+                coef_term *= -1
+            elif target_pauli_op.phase == 3:
+                coef_term *= 1j
+            total_fermionic_op += coef_term * term_fermionic_op
+        return total_fermionic_op.normal_order()
+
+    @staticmethod
+    def __invert_pauli_terms(sparse_pauli_op: SparsePauliOp) -> SparsePauliOp:
+        """Utility to invert the order of Pauli operators in each term of a SparsePauliOp."""
+        inverted_labels = [label[::-1] for label in sparse_pauli_op.paulis.to_labels()]
+        # Create a new SparsePauliOp with the inverted labels but same coefficients
+        inverted_sparse_pauli_op = SparsePauliOp(inverted_labels, sparse_pauli_op.coeffs)
+        return inverted_sparse_pauli_op

releasenotes/notes/reverse-jordan-wigner-mapping-be0e0ab217967f61.yaml

@@ -0,0 +1,5 @@
+---
+features:
+  - |
+    Adds a new method :meth:`.JordanWignerMapper.reverse_map` for :class:`.JordanWignerMapper` that does
+    a reverse mapping to create a fermionic operator from a qubit operator.

test/second_q/mappers/test_jordan_wigner_mapper.py

@@ -1,6 +1,6 @@
 # This code is part of a Qiskit project.
 #
-# (C) Copyright IBM 2021, 2023.
+# (C) Copyright IBM 2021, 2024.
 #
 # This code is licensed under the Apache License, Version 2.0. You may
 # obtain a copy of this license in the LICENSE.txt file in the root directory
@@ -142,6 +142,19 @@ def test_mapping_overwrite_reg_len(self):
         mapper = JordanWignerMapper()
         self.assertEqual(mapper.map(op, register_length=3), mapper.map(expected))
 
+    @unittest.skipIf(not _optionals.HAS_PYSCF, "pyscf not available.")
+    def test_reverse_map(self):
+        """Test reverse mapping from qubit operator back to fermionic operator."""
+        driver = PySCFDriver()
+        driver_result = driver.run()
+        fermionic_op, _ = driver_result.second_q_ops()
+        mapper = JordanWignerMapper()
+        qubit_op = mapper.map(fermionic_op)
+        recovered_fermionic_op = mapper.reverse_map(qubit_op)
+        fermionic_op = fermionic_op.normal_order()
+        recovered_fermionic_op = recovered_fermionic_op.normal_order()
+        self.assertTrue(fermionic_op.equiv(recovered_fermionic_op))
+
 
 if __name__ == "__main__":
     unittest.main()