qiskit.chemistry.transformations.Transformation

class Transformation

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')

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

Parameters

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:

Return type

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

abstract property commutation_rule

Getter of the commutation rule

Return type

bool

get_default_filter_criterion()

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.

Return type

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

abstract interpret(raw_result)

Interprets an EigenstateResult in the context of this transformation.

Parameters

raw_result (Union[EigenstateResult, EigensolverResult, MinimumEigensolverResult]) – an eigenstate result object.

Return type

EigenstateResult

Returns

An “interpreted” eigenstate result.

abstract transform(driver, aux_operators=None)

Transformation from the driver to a qubit operator.

Parameters

• 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.

Return type

Tuple[OperatorBase, List[OperatorBase]]

Returns

A qubit operator and a dictionary of auxiliary operators.