qrunch.quantum.operators.second_quantization.hardcore_boson.sums

A compact representation of a hard-core bosonic operator consisting only of single and double excitations.

Classes

`PairedHardcoreBosonHermitianSum`	Compact representation of the full second quantization hard-core bosonic hermitian sum.
`PairedHardcoreBosonHermitianSumProtocol`	Compact representation of the full second quantization hard-core bosonic hermitian sum.

class PairedHardcoreBosonHermitianSum

Bases: PairedHardcoreBosonHermitianSumProtocol, HasCustomEncoding

Compact representation of the full second quantization hard-core bosonic hermitian sum.

This operator takes single and double fermionic excitation operators and translate them into Paired Hard Core Boson operators.

Note that only dense array types are supported for the single and double excitations currently.

__init__(single_excitations: ndarray[Any, dtype[float64]] | ndarray[Any, dtype[complex128]] | DenseArray, double_excitations: ndarray[Any, dtype[float64]] | ndarray[Any, dtype[complex128]] | DenseArray, *, tolerance: float = 1e-12) → None

Initialize the full operator.

Parameters:

single_excitations (ndarray[Any, dtype[float64]] | ndarray[Any, dtype[complex128]] | DenseArray) – Single excitation part of the operator.
double_excitations (ndarray[Any, dtype[float64]] | ndarray[Any, dtype[complex128]] | DenseArray) – Double excitation part of the operator.
tolerance (float) – Remove terms with a value lower than this.

Return type:

None

classmethod decode(data: dict[str, Any]) → PairedHardcoreBosonHermitianSum

Decode a dictionary to an instance of TensorHyperContractionIntegrals.

Parameters:: data (dict[str, Any]) – The dictionary representation of a TensorHyperContractionIntegrals instance.
Return type:: PairedHardcoreBosonHermitianSum

double_data() → ndarray[Any, dtype[float64]]

Return the single data.

Return type:: ndarray[Any, dtype[float64]]

property double_excitations: Array: Return the double excitations in the Paired Hard Core Boson representation.

encode() → dict[str, Any]

Encode the instance into a dictionary.

Return type:: dict[str, Any]

static is_hardcore_bosonic() → Literal[True]

Return True, if it is hard core bosonic.

Return type:: Literal[True]

rotate(rotation_matrices: tuple[ndarray[Any, dtype[float64]], ...]) → PairedHardcoreBosonHermitianSum

Rotate the excitations.

Parameters:: rotation_matrices (tuple[ndarray[Any, dtype[float64]], ...]) – The matrix to rotate with.
Return type:: PairedHardcoreBosonHermitianSum

rotation_matrix_structure() → list[RotationBlockDefinition]

Get information on which blocks should be non-zero in the rotation matrix.

Return type:: list[RotationBlockDefinition]

single_data() → ndarray[Any, dtype[float64]]

Return the single data.

Return type:: ndarray[Any, dtype[float64]]

property single_excitations: Array: Return the single excitations in the Paired Hard Core Boson representation.

class PairedHardcoreBosonHermitianSumProtocol

Bases: Protocol

Compact representation of the full second quantization hard-core bosonic hermitian sum.

__init__(*args, **kwargs)

double_data() → ndarray[Any, dtype[float64]]

Return the double data.

Return type:: ndarray[Any, dtype[float64]]

property double_excitations: Array: Return the double excitations in the Paired Hard Core Boson representation.

static is_hardcore_bosonic() → Literal[True]

Return True, if it is hard core bosonic.

Return type:: Literal[True]

rotate(rotation_matrices: tuple[ndarray[Any, dtype[float64]], ...]) → Self

Rotate the excitations.

Parameters:: rotation_matrices (tuple[ndarray[Any, dtype[float64]], ...]) – The matrix to rotate with.
Return type:: Self

rotation_matrix_structure() → list[RotationBlockDefinition]

Get information on which blocks should be non-zero in the rotation matrix.

Return type:: list[RotationBlockDefinition]

single_data() → ndarray[Any, dtype[float64]]

Return the single data.

Return type:: ndarray[Any, dtype[float64]]

property single_excitations: Array: Return the single excitations in the Paired Hard Core Boson representation.