GroundStateSolver
class GroundStateSolver(transformation)
Bases: abc.ABC
The ground state calculation interface
Parameters
transformation (Transformation
) – transformation from driver to qubit operator (and aux. operators)
Methods
evaluate_operators
abstract GroundStateSolver.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 alsoStateFn
for 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 GroundStateSolver.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 GroundStateSolver.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 typeFermionicOperator
if the qubit transformation is fermionic and of typeBosonicOperator
it is bosonic.
Return type
Union
[ElectronicStructureResult
, VibronicStructureResult
]
Returns
An eigenstate result.
Attributes
transformation
Returns the transformation used to obtain a qubit operator from the molecule.
Return type
Transformation