qiskit.chemistry.algorithms.GroundStateSolver¶

class GroundStateSolver(transformation)[source]¶

The ground state calculation interface

Parameters: transformation (Transformation) – transformation from driver to qubit operator (and aux. operators)

__init__(transformation)[source]¶

Parameters: transformation (Transformation) – transformation from driver to qubit operator (and aux. operators)

Methods

`__init__`(transformation)	type transformation `Transformation`
`evaluate_operators`(state, operators)	Evaluates additional operators at the given state.
`returns_groundstate`()	Whether this class returns only the ground state energy or also the ground state itself.
`solve`(driver[, aux_operators])	Compute the ground state energy of the molecule that was supplied via the driver.

Attributes

Returns the transformation used to obtain a qubit operator from the molecule.

abstract evaluate_operators(state, operators)[source]¶

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, 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.

abstract returns_groundstate()[source]¶

Whether this class returns only the ground state energy or also the ground state itself.

Return type: bool
Returns: True, if this class also returns the ground state in the results object. False otherwise.

abstract solve(driver, aux_operators=None)[source]¶

Compute the ground state energy of the molecule that was supplied via the driver.

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. Must be of type FermionicOperator if the qubit transformation is fermionic and of type BosonicOperator it is bosonic.

Return type

Union[ElectronicStructureResult, VibronicStructureResult]

Returns

An eigenstate result.

property transformation¶

Returns the transformation used to obtain a qubit operator from the molecule.