qiskit.chemistry.core.ChemistryOperator

class ChemistryOperator

Base class for ChemistryOperator.

abstract __init__()

Initialize self. See help(type(self)) for accurate signature.

Methods

__init__()	Initialize self.
process_algorithm_result(algo_result)	Takes the algorithm result and processes it as required, e.g.
run(qmolecule)	Convert the qmolecule, according to the ChemistryOperator, into an Operator that can be given to a QuantumAlgorithm

Attributes

INFO_NUM_ORBITALS
INFO_NUM_PARTICLES
INFO_TWO_QUBIT_REDUCTION
INFO_Z2SYMMETRIES
molecule_info	returns molecule info

property molecule_info

returns molecule info

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

abstract 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