qiskit.chemistry.transformations.Transformation¶

class Transformation[Quellcode]¶

Base class for transformation to qubit operators for chemistry problems

__init__()¶: Initialize self. See help(type(self)) for accurate signature.

Methods

`__init__`()	Initialize self.
`build_hopping_operators`([excitations])	Builds the product of raising and lowering operators (basic excitation operators)
`get_default_filter_criterion`()	Returns a default filter criterion method to filter the eigenvalues computed by the eigen solver.
`interpret`(raw_result)	Interprets an EigenstateResult in the context of this transformation.
`transform`(driver[, aux_operators])	Transformation from the `driver` to a qubit operator.

Attributes

commutation_rule

Getter of the commutation rule

abstract build_hopping_operators(excitations='sd')[Quellcode]¶

Builds the product of raising and lowering operators (basic excitation operators)

Parameter: excitations (Union[str, List[List[int]]]) – The excitations to be included in the eom pseudo-eigenvalue problem. If a string (‚s‘, ‚d‘ or ‚sd‘) then all excitations of the given type will be used. Otherwise a list of custom excitations can directly be provided.

Returns:

Rückgabetyp: Tuple[Dict[str, WeightedPauliOperator], Dict[str, List[bool]], Dict[str, List[Any]]]

abstract property commutation_rule¶

Getter of the commutation rule

Rückgabetyp: bool

get_default_filter_criterion()[Quellcode]¶

Returns a default filter criterion method to filter the eigenvalues computed by the eigen solver. For more information see also aqua.algorithms.eigen_solvers.NumPyEigensolver.filter_criterion.

Rückgabetyp: Optional[Callable[[Union[List, ndarray], float, Optional[List[float]]], bool]]

abstract interpret(raw_result)[Quellcode]¶

Interprets an EigenstateResult in the context of this transformation.

Parameter: raw_result (Union[EigenstateResult, EigensolverResult, MinimumEigensolverResult]) – an eigenstate result object.
Rückgabetyp: EigenstateResult
Rückgabe: An „interpreted“ eigenstate result.

abstract transform(driver, aux_operators=None)[Quellcode]¶

Transformation from the driver to a qubit operator.

Parameter

driver (BaseDriver) – A driver encoding the molecule information.
aux_operators (Union[List[FermionicOperator], List[BosonicOperator], None]) – Additional auxiliary operators to evaluate. Must be of type FermionicOperator if the qubit transformation is fermionic and of type BosonicOperator it is bosonic.

Rückgabetyp

Tuple[OperatorBase, List[OperatorBase]]

Rückgabe

A qubit operator and a dictionary of auxiliary operators.