GroundStateEigensolver

class GroundStateEigensolver(transformation, solver)

Bases: qiskit.chemistry.algorithms.ground_state_solvers.ground_state_solver.GroundStateSolver

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.

Methods

evaluate_operators

GroundStateEigensolver.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 also StateFn for more details.
operators (Union[WeightedPauliOperator, OperatorBase, list, dict]) – either a single, list or dictionary of WeightedPauliOperator``s or any kind of operator implementing the ``OperatorBase.

Return type

Union [float, None, List [Optional [float]], Dict [str, List [Optional [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

GroundStateEigensolver.returns_groundstate()

Whether the eigensolver returns the ground state or only ground state energy.

Return type

bool

solve

GroundStateEigensolver.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 be FermionicOperator or BosonicOperator, 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.

Attributes

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

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