qrunch.quantum.algorithms.second_quantization.orbital_optimizers.utils

Utility functions for orbital optimization.

Functions

`create_initial_orbital_optimization_params`(...)	Return an array of zeros with length equal to the number of entries in a triangular matrix.
`get_rotation_matrices`(params, operator)	Return a block diagonal antisymmetric matrix with blocks with the parameters as the entries.

create_initial_orbital_optimization_params(operator: FermionHermitianSumProtocol | PairedHardcoreBosonHermitianSumProtocol) → ndarray[Any, dtype[float64]]

Return an array of zeros with length equal to the number of entries in a triangular matrix.

Parameters:: operator (FermionHermitianSumProtocol | PairedHardcoreBosonHermitianSumProtocol)
Return type:: ndarray[Any, dtype[float64]]

get_rotation_matrices(params: ndarray[Any, dtype[float64]], operator: FermionHermitianSumProtocol | PairedHardcoreBosonHermitianSumProtocol) → tuple[ndarray[Any, dtype[float64]], ...]

Return a block diagonal antisymmetric matrix with blocks with the parameters as the entries.

Parameters:

params (ndarray[Any, dtype[float64]]) – Parameters to input to the exponential of the rotation matrices.
operator (FermionHermitianSumProtocol | PairedHardcoreBosonHermitianSumProtocol) – Operator to rotate. Used to get the rotation matrix structure.

Return type:

tuple[ndarray[Any, dtype[float64]], …]