qiskit.chemistry.algorithms.VQEUVCCSDFactory

class VQEUVCCSDFactory(quantum_instance, optimizer=None, initial_point=None, expectation=None, include_custom=False)

A factory to construct a VQE minimum eigensolver with UVCCSD ansatz wavefunction.

Parameters

quantum_instance (QuantumInstance) – The quantum instance used in the minimum eigensolver.
optimizer (Optional[Optimizer]) – A classical optimizer.
initial_point (Optional[ndarray]) – An optional initial point (i.e. initial parameter values) for the optimizer. If None then VQE will look to the variational form for a preferred point and if not will simply compute a random one.
expectation (Optional[ExpectationBase]) – The Expectation converter for taking the average value of the Observable over the var_form state function. When None (the default) an ExpectationFactory is used to select an appropriate expectation based on the operator and backend. When using Aer qasm_simulator backend, with paulis, it is however much faster to leverage custom Aer function for the computation but, although VQE performs much faster with it, the outcome is ideal, with no shot noise, like using a state vector simulator. If you are just looking for the quickest performance when choosing Aer qasm_simulator and the lack of shot noise is not an issue then set include_custom parameter here to True (defaults to False).
include_custom (bool) – When expectation parameter here is None setting this to True will allow the factory to include the custom Aer pauli expectation.

__init__(quantum_instance, optimizer=None, initial_point=None, expectation=None, include_custom=False)

Parameters

quantum_instance (QuantumInstance) – The quantum instance used in the minimum eigensolver.
optimizer (Optional[Optimizer]) – A classical optimizer.
initial_point (Optional[ndarray]) – An optional initial point (i.e. initial parameter values) for the optimizer. If None then VQE will look to the variational form for a preferred point and if not will simply compute a random one.
expectation (Optional[ExpectationBase]) – The Expectation converter for taking the average value of the Observable over the var_form state function. When None (the default) an ExpectationFactory is used to select an appropriate expectation based on the operator and backend. When using Aer qasm_simulator backend, with paulis, it is however much faster to leverage custom Aer function for the computation but, although VQE performs much faster with it, the outcome is ideal, with no shot noise, like using a state vector simulator. If you are just looking for the quickest performance when choosing Aer qasm_simulator and the lack of shot noise is not an issue then set include_custom parameter here to True (defaults to False).
include_custom (bool) – When expectation parameter here is None setting this to True will allow the factory to include the custom Aer pauli expectation.

Methods


`__init__`(quantum_instance[, optimizer, …])	type quantum_instance`QuantumInstance`
`get_solver`(transformation)	Returns a VQE with a UVCCSD wavefunction ansatz, based on `transformation`.
`supports_aux_operators`()	Returns whether the eigensolver generated by this factory supports auxiliary operators.


`expectation`	Getter of the expectation.
`include_custom`	Getter of the `include_custom` setting for the `expectation` setting.
`initial_point`	Getter of the initial point.
`optimizer`	Getter of the optimizer.
`quantum_instance`	Getter of the quantum instance.

Getter of the expectation.

Return type

ExpectationBase

get_solver(transformation)

Returns a VQE with a UVCCSD wavefunction ansatz, based on transformation . This works only with a BosonicTransformation .

Parameters

transformation (BosonicTransformation) - a bosonic qubit operator transformation.

Return type

MinimumEigensolver

Returns

A VQE suitable to compute the ground state of the molecule transformed by transformation .

Getter of the include_custom setting for the expectation setting.

Return type

bool

Getter of the initial point.

Return type

ndarray

Getter of the optimizer.

Return type

Optimizer

Getter of the quantum instance.

Return type

QuantumInstance

supports_aux_operators()

Returns whether the eigensolver generated by this factory supports auxiliary operators.

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