quri_parts.chem.properties package

EnergyGradientEstimator

EnergyGradientEstimator represents a function that estimates the energy gradient of a given parametric state w.r.t. the Hamiltonian parameters at given circuit parameters. This is a generic type and you need to specify what kind of state classes it is applicable to.

alias of Callable[[_ParametricStateT, Sequence[float]], Sequence[float]]

create_energy_gradient_estimator(estimator, h_params, h_generator, h_gradient_calculator=<function numerical_operator_gradient>)

Create a EnergyGradientEstimator that calculates the energy gradients with respect to the hamiltonian parameters at the given circuit parameters.

Parameters:

• estimator (ConcurrentQuantumEstimator[Union[GeneralCircuitQuantumState, QuantumStateVector]])

• h_params (Sequence[float])

• h_generator (Callable[[Sequence[float]], Operator])

• h_gradient_calculator (OperatorGradientCalculator)

Return type:

EnergyGradientEstimator[_ParametricStateT]