qc2.ansatz.qiskit.lucj
======================

.. py:module:: qc2.ansatz.qiskit.lucj


Classes
-------

.. autoapisummary::

   qc2.ansatz.qiskit.lucj.LUCJ


Module Contents
---------------

.. py:class:: LUCJ(mol: pyscf.gto.Mole, active_space: Iterable | None = None, n_reps: int = 2, initial_state: Optional[qiskit.circuit.QuantumCircuit] = None, name: str | None = 'LUCJ')

   Bases: :py:obj:`qiskit.circuit.library.blueprintcircuit.BlueprintCircuit`


   LUCJ ansatz using Unitary Coupled-Cluster with Jastrow factor.


   .. py:attribute:: mol


   .. py:attribute:: active_space
      :value: None



   .. py:attribute:: _num_spatial_orbitals


   .. py:attribute:: _num_particles


   .. py:attribute:: _num_qubits


   .. py:attribute:: n_reps
      :value: 2



   .. py:attribute:: ccsd
      :value: None



   .. py:property:: num_qubits
      :type: int


      The number of qubits.


   .. py:property:: num_spatial_orbitals
      :type: int


      The number of spatial orbitals.


   .. py:property:: num_particles
      :type: tuple[int, int]


      The number of particles.


   .. py:method:: _run_scf()

      Runs a self-consistent field calculation.



   .. py:method:: _set_initial_state(initial_state: qiskit.circuit.QuantumCircuit | None) -> None

      Sets the initial state circuit for the LUCJ ansatz.

      :param initial_state: Initial state circuit (Hartree-Fock if None)



   .. py:method:: _check_configuration(raise_on_failure: bool = True) -> bool

      Check if the configuration of the NLocal class is valid.

      :param raise_on_failure: Whether to raise on failure.

      :returns: True, if the configuration is valid and the circuit can be constructed. Otherwise
                an ValueError is raised.

      :raises ValueError: If the numbr fo qubit is not set.
      :raises ValueError: If the number of spatial orbitals is lower than the number of particles



   .. py:method:: _build()


   .. py:method:: get_operator() -> ffsim.UCJOpSpinBalanced

      "
      Returns the LUCJ operator.



   .. py:method:: get_state(initial_state: numpy.ndarray | None = None) -> numpy.ndarray

      Constructs and returns the LUCJ ansatz state.