chemqulacs.vqe.rdm module

chemqulacs.vqe.rdm module#

chemqulacs.vqe.rdm.get_1rdm(state, fermion_qubit_mapping, estimator, n_electrons)[source]#

Compute 1-RDM of a given state with user specfied fermion to qubit mapping.

Parameters:

  • state (quri_parts.GeneralCircuitQuantumState) –

  • fermion_qubit_mapping (quri_parts.openfermion.transforms.OpenFermionQubitMapping) –

  • estimator (quri_parts.qulacs.estimator.ConcurrentQuantumEstimator) –

  • n_electrons (int) –

  • n_spin_orbitals (int) – number of spin-orbitals. if None, it is set to # of qubits in QuantumState

Returns:

1-RDM

Return type:

numpy.ndarray of shape (n_spin_orbitals, n_spin_orbitals)

chemqulacs.vqe.rdm.get_2rdm(state, fermion_qubit_mapping, estimator, n_electrons)[source]#

Compute 2-RDM of a given state with user specfied fermion to qubit mapping.

Parameters:

  • state (quri_parts.GeneralCircuitQuantumState) –

  • fermion_qubit_mapping (quri_parts.openfermion.transforms.OpenFermionQubitMapping) –

  • estimator (quri_parts.qulacs.estimator.ConcurrentQuantumEstimator) –

  • n_electrons (int) –

  • n_spin_orbitals (int) – number of spin-orbitals. if None, it is set to # of qubits in QuantumState

Returns:

2-RDM

Return type:

numpy.ndarray of shape (n_spin_orbitals, n_spin_orbitals, n_spin_orbitals, n_spin_orbitals)

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