qiskit.chemistry.algorithms.GroundStateSolver
class GroundStateSolver(transformation)
The ground state calculation interface
Parameters
transformation (Transformation) – transformation from driver to qubit operator (and aux. operators)
__init__
__init__(transformation)
Parameters
transformation (Transformation) – transformation from driver to qubit operator (and aux. operators)
Methods
__init__(transformation) | type transformationTransformation |
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
transformation | Returns the transformation used to obtain a qubit operator from the molecule. |
evaluate_operators
abstract 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
abstract returns_groundstate()
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.
solve
abstract solve(driver, aux_operators=None)
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 typeFermionicOperatorif the qubit transformation is fermionic and of typeBosonicOperatorit is bosonic.
Return type
Union[ElectronicStructureResult, VibronicStructureResult]
Returns
An eigenstate result.
transformation
Returns the transformation used to obtain a qubit operator from the molecule.
Return type
Transformation