qiskit.chemistry.algorithms.GroundStateEigensolver
class GroundStateEigensolver(transformation, solver)
Ground state computation using a minimum eigensolver.
Parameters
- transformation (
Transformation) – Qubit Operator Transformation - solver (
Union[MinimumEigensolver,MinimumEigensolverFactory]) – Minimum Eigensolver or MESFactory object, e.g. the VQEUCCSDFactory.
__init__
__init__(transformation, solver)
Parameters
- transformation (
Transformation) – Qubit Operator Transformation - solver (
Union[MinimumEigensolver,MinimumEigensolverFactory]) – Minimum Eigensolver or MESFactory object, e.g. the VQEUCCSDFactory.
Methods
__init__(transformation, solver) | type transformationTransformation |
evaluate_operators(state, operators) | Evaluates additional operators at the given state. |
returns_groundstate() | Whether the eigensolver returns the ground state or only ground state energy. |
solve(driver[, aux_operators]) | Compute Ground State properties. |
Attributes
solver | Returns the minimum eigensolver or factory. |
transformation | Returns the transformation used to obtain a qubit operator from the molecule. |
evaluate_operators
evaluate_operators(state, operators)
Evaluates additional operators at the given state.
Parameters
- state (
Union[str,dict,Result,list,ndarray,Statevector,QuantumCircuit,Instruction,OperatorBase]) – any kind of input that can be used to specify a state. See alsoStateFnfor more details. - operators (
Union[WeightedPauliOperator,OperatorBase,list,dict]) – either a single, list or dictionary ofWeightedPauliOperator``s or any kind of operator implementing the ``OperatorBase.
Return type
Union[float, List[float], Dict[str, List[float]]]
Returns
The expectation value of the given operator(s). The return type will be identical to the format of the provided operators.
returns_groundstate
returns_groundstate()
Whether the eigensolver returns the ground state or only ground state energy.
Return type
bool
solve
solve(driver, aux_operators=None)
Compute Ground State properties.
Parameters
- driver (
BaseDriver) – a chemistry driver object which defines the chemical problem that is to be solved by this calculation. - aux_operators (
Union[List[FermionicOperator],List[BosonicOperator],None]) – Additional auxiliary operators to evaluate at the ground state. Depending on whether a fermionic or bosonic system is solved, the type of the operators must beFermionicOperatororBosonicOperator, respectively.
Raises
NotImplementedError – If an operator in aux_operators is not of type FermionicOperator.
Return type
Union[ElectronicStructureResult, VibronicStructureResult]
Returns
An eigenstate result. Depending on the transformation this can be an electronic structure or bosonic result.
solver
Returns the minimum eigensolver or factory.
Return type
Union[MinimumEigensolver, MinimumEigensolverFactory]
transformation
Returns the transformation used to obtain a qubit operator from the molecule.
Return type
Transformation