qrunch.quantum.operators.second_quantization.fermion.sums

A compact representation of a fermionic operator consisting only of single and double excitations.

Classes

`FermionHermitianSum`	Compact representation of the full second quantization fermionic hermitian sum.
`FermionHermitianSumProtocol`	Protocol for representation of a second quantization fermionic hermitian sum.

class FermionHermitianSum

Bases: FermionHermitianSumProtocol, HasCustomEncoding

Compact representation of the full second quantization fermionic hermitian sum.

This operator consists of single- and double-excitations of fermion second-quantization operators.

__init__(single_excitations: ndarray[Any, dtype[float64]] | ndarray[Any, dtype[complex128]] | Array, double_excitations: ndarray[Any, dtype[float64]] | ndarray[Any, dtype[complex128]] | Array) → None

Initialize the full operator.

Parameters:

single_excitations (ndarray[Any, dtype[float64]] | ndarray[Any, dtype[complex128]] | Array) – Single excitation part of the operator.
double_excitations (ndarray[Any, dtype[float64]] | ndarray[Any, dtype[complex128]] | Array) – Double excitation part of the operator (physics ordering).

Return type:

None

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

Decode a dictionary to an instance of TensorHyperContractionIntegrals.

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

property double_excitations: Array: Return the double excitation part of the operator (physics ordering).

encode() → dict[str, Any]

Encode the instance into a dictionary.

Return type:: dict[str, Any]

static is_hardcore_bosonic() → Literal[False]

Return True, if it is hard core bosonic.

Return type:: Literal[False]

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

Rotate the excitations.

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

rotation_matrix_structure() → list[RotationBlockDefinition]

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

Return type:: list[RotationBlockDefinition]

property single_excitations: Array: Return the single excitation part of the operator.

class FermionHermitianSumProtocol

Bases: Protocol

Protocol for representation of a second quantization fermionic hermitian sum.

This operator consists of single- and double-excitations of fermion second-quantization operators.

__init__(*args, **kwargs)

property double_excitations: Array: Return the double excitations.

static is_hardcore_bosonic() → Literal[False]

Return True, if it is hardcore bosonic.

Return type:: Literal[False]

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]

property single_excitations: Array: Return the single excitations.