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qiskit.chemistry.components.initial_states.HartreeFock

class HartreeFock(num_orbitals, num_particles, qubit_mapping='parity', two_qubit_reduction=True, sq_list=None)[source]

A Hartree-Fock initial state.

Parameters
  • num_orbitals (int) – number of spin orbitals, has a min. value of 1.

  • num_particles (Union[List[int], int]) – number of particles, if it is a list, the first number is alpha and the second number if beta.

  • qubit_mapping (str) – mapping type for qubit operator

  • two_qubit_reduction (bool) – flag indicating whether or not two qubit is reduced

  • sq_list (Optional[List[int]]) – position of the single-qubit operators that anticommute with the cliffords

Raises
  • ValueError – wrong setting in num_particles and num_orbitals.

  • ValueError – wrong setting for computed num_qubits and supplied num_qubits.

__init__(num_orbitals, num_particles, qubit_mapping='parity', two_qubit_reduction=True, sq_list=None)[source]
Parameters
  • num_orbitals (int) – number of spin orbitals, has a min. value of 1.

  • num_particles (Union[List[int], int]) – number of particles, if it is a list, the first number is alpha and the second number if beta.

  • qubit_mapping (str) – mapping type for qubit operator

  • two_qubit_reduction (bool) – flag indicating whether or not two qubit is reduced

  • sq_list (Optional[List[int]]) – position of the single-qubit operators that anticommute with the cliffords

Raises
  • ValueError – wrong setting in num_particles and num_orbitals.

  • ValueError – wrong setting for computed num_qubits and supplied num_qubits.

Methods

__init__(num_orbitals, num_particles[, …])

type num_orbitals

int

construct_circuit([mode, register])

Construct the statevector of desired initial state.

Attributes

bitstr

Getter of the bit string represented the statevector.

property bitstr

Getter of the bit string represented the statevector.

construct_circuit(mode='circuit', register=None)[source]

Construct the statevector of desired initial state.

Parameters
  • mode (string) – vector or circuit. The vector mode produces the vector. While the circuit constructs the quantum circuit corresponding that vector.

  • register (QuantumRegister) – register for circuit construction.

Returns

statevector.

Return type

QuantumCircuit or numpy.ndarray

Raises

ValueError – when mode is not ‘vector’ or ‘circuit’.

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