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.

パラメータ

• 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)

パラメータ

• 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.

Attributes

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.

property expectation

Getter of the expectation.

戻り値の型

ExpectationBase

get_solver(transformation)

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

パラメータ

transformation (BosonicTransformation) – a bosonic qubit operator transformation.

戻り値の型

MinimumEigensolver

戻り値

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

property include_custom

Getter of the include_custom setting for the expectation setting.

戻り値の型

bool

property initial_point

Getter of the initial point.

戻り値の型

ndarray

property optimizer

Getter of the optimizer.

戻り値の型

Optimizer

property quantum_instance

Getter of the quantum instance.

戻り値の型

QuantumInstance

supports_aux_operators()

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