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ChemistryOperator

class ChemistryOperator

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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

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