ChemistryOperator
class ChemistryOperator
Base class for ChemistryOperator.
Attributes
INFO_NUM_ORBITALS
Default value: 'num_orbitals'
INFO_NUM_PARTICLES
Default value: 'num_particles'
INFO_TWO_QUBIT_REDUCTION
Default value: 'two_qubit_reduction'
INFO_Z2SYMMETRIES
Default value: 'z2symmetries'
molecule_info
returns molecule info
Methods
process_algorithm_result
ChemistryOperator.process_algorithm_result(algo_result)
Takes the algorithm result and processes it as required, e.g. by combination of any parts that were classically computed, for the final result.
Parameters
algo_result (Union
[dict
, MinimumEigensolverResult
, EigensolverResult
]) – Result from algorithm
Return type
Union
[Tuple
[List
[str
], dict
], MolecularGroundStateResult
, MolecularExcitedStatesResult
]
Returns
Final chemistry result computed from the algorithm result
run
abstract ChemistryOperator.run(qmolecule)
Convert the qmolecule, according to the ChemistryOperator, into an Operator that can be given to a QuantumAlgorithm
Parameters
qmolecule (QMolecule) – from a chemistry driver
Returns
(qubit_op, aux_ops)
Return type
Tuple