hqs_spin_mapper.spin_mapper_protocols

Module containing the protocols for transformable objects of the HQS Spin Mapper.

Classes

`Hamiltonian_Matrices`(H0_uu, H0_dd, H0_ud, HU)	Collection of the matrix representations of the system Hamiltonian.
`Supports_SW_Transformation`(args, *kwargs)	Protocol for systems that allow for a Schrieffer-Wolff transformation.
`Supports_Spin_Optimization`(args, *kwargs)	Protocol for transformable systems with the prerequisites for spin-orbital optimization.

Exceptions

InsufficientProtocolError(obj, ...)

Custom exception for the case that objects do not satisfy the required protocol.

exception hqs_spin_mapper.spin_mapper_protocols.InsufficientProtocolError(obj: Any, specified_protocol: Any)

Custom exception for the case that objects do not satisfy the required protocol.

Instantiate the error and print the error message.

Parameters:

obj (Any) – Object that doesn’t satisfy the specified protocol.
specified_protocol (Any) – The specified protocol that is required.

__init__(obj: Any, specified_protocol: Any) → None

Instantiate the error and print the error message.

Parameters:

obj (Any) – Object that doesn’t satisfy the specified protocol.
specified_protocol (Any) – The specified protocol that is required.

add_note(): Exception.add_note(note) – add a note to the exception

args

with_traceback(): Exception.with_traceback(tb) – set self.__traceback__ to tb and return self.

class hqs_spin_mapper.spin_mapper_protocols.Hamiltonian_Matrices(H0_uu: ndarray, H0_dd: ndarray, H0_ud: ndarray, HU: ndarray, Jz: ndarray | None = None, Jp: ndarray | None = None, Jc: ndarray | None = None, HR: ndarray | None = None)

Collection of the matrix representations of the system Hamiltonian.

H0_uu (np.ndarray): Quadratic Hamiltonian, spin directions up-up H0_dd (np.ndarray): Quadratic Hamiltonian, spin directions down-down H0_uu (np.ndarray): Quadratic Hamiltonian, spin directions up-down HU (np.ndarray): Density-Density interaction matrix or interaction tensors Jz (np.ndarray): Sz-Sz interaction matrix Jp (np.ndarray): S+-S- interaction matrix Jc (np.ndarray): vec{S}xvec{S} interaction matrix HR (np.ndarray): Remainder bath interaction tensor

H0_uu: ndarray

H0_dd: ndarray

H0_ud: ndarray

HU: ndarray

Jz: ndarray | None = None

Jp: ndarray | None = None

Jc: ndarray | None = None

HR: ndarray | None = None

__init__(H0_uu: ndarray, H0_dd: ndarray, H0_ud: ndarray, HU: ndarray, Jz: ndarray | None = None, Jp: ndarray | None = None, Jc: ndarray | None = None, HR: ndarray | None = None) → None

class hqs_spin_mapper.spin_mapper_protocols.Supports_SW_Transformation(*args, **kwargs)

Protocol for systems that allow for a Schrieffer-Wolff transformation.

property hamiltonians: Hamiltonian_Matrices: Return the matrices of the terms in the Hamiltonian describing the system.

property rotation_matrix: ndarray: Return the rotation matrix that transforms the system to the spin-optimized basis.

property spin_indices: Set[int]: Return the set of indices of the spin-like orbitals.

__init__(*args, **kwargs)

_abc_impl = <_abc._abc_data object>

_is_protocol = True

_is_runtime_protocol = True

property system_size: int: Return the system size i.e. the number of orbitals.

property site_type: str: Return the type of orbitals (e.g. spinful_fermions or spinless_fermions).

property prefactor_cutoff: float: Return the cutoff for the prefactors of terms to be considered in the transformation.

property generator: ExpressionSpinful | ExpressionSpinful_complex: Return the generator \(S\) of the Schrieffer-Wolff transformation.

property transformed_hamiltonian: ExpressionSpinful | ExpressionSpinful_complex: Return the Schrieffer-Wolff transformed Hamiltonian \(\tilde{H}\).

class hqs_spin_mapper.spin_mapper_protocols.Supports_Spin_Optimization(*args, **kwargs)

Protocol for transformable systems with the prerequisites for spin-orbital optimization.

property tolerance: float: Return the tolerated parity deviation \(\delta\) in \(P=(-1 + \delta)\) for an orbital to be considered a spin-orbital.

property optimization_steps: int: Return the number of optimization loops.

property immutable_indices: Set[int]: Return the orbital indices that should remain unaltered by the optimization.

property rdm1: ndarray | Tuple[ndarray, ...]: Return the matrices of the 1-RDM (\(\langle c^{\dagger}_{i\sigma} c_{j\sigma'}\rangle\)).

property rdm2: ndarray: Return the tensor of the 2-RDM (\(\langle c^{\dagger}_{i\uparrow} c^{\dagger}_{j\downarrow} c_{k\downarrow} c_{l\uparrow}\rangle\)).

__init__(*args, **kwargs)

_abc_impl = <_abc._abc_data object>

_is_protocol = True

_is_runtime_protocol = True