Central spins

CenterArray

Documentation for the pycce.CenterArray - class which stores the properties of the set of central spins.

class CenterArray(size=None, position=None, spin=None, D=0, E=0, gyro=-17608.59705, imap=None, alpha=None, beta=None, detuning=0)

Class, containing properties of all central spins. The properties of the each separate spin can be accessed as elements of the object directly. Each element of the array is an instance of the Center class.

Examples

Generate array of 2 electron central spins:

>>> import numpy as np
>>> ca = CenterArray(2, spin=0.5) # Array of size 2 with spins-1/2
>>> print(ca)
CenterArray
(s: [0.5 0.5],
xyz:
[[0. 0. 0.]
 [0. 0. 0.]],
zfs:
[[[0. 0. 0.]
  [0. 0. 0.]
  [0. 0. 0.]]
 [[0. 0. 0.]
  [0. 0. 0.]
  [0. 0. 0.]]],
gyro:
[[[-17608.59705     -0.          -0.     ]
  [    -0.      -17608.59705     -0.     ]
  [    -0.          -0.      -17608.59705]]
 [[-17608.59705     -0.          -0.     ]
  [    -0.      -17608.59705     -0.     ]
  [    -0.          -0.      -17608.59705]]])

Set first two eigenstates of the combined central spin Hamiltonian as a singlie qubit state:

>>> ca.alpha = 0
>>> ca.beta = 1

Change gyromagnetic ratio of the first spin:

>>> ca[0].gyro = np.eye(3) * 1000
>>> print(ca[0])
Center
(s: 0.5,
xyz:
[0. 0. 0.],
zfs:
[[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]],
gyro:
1000.0)

Parameters:

size (int) – Number of central spins.
spin (ndarray with shape (size,)) –
Total spins of the central spins.

Note

All center spin properties are broadcasted to the total size of the center array, provided by size argument, or inferred from spin, position arguments.
position (ndarray with shape (size, 3)) – Cartesian coordinates in Angstrom of the central spins. Default (0., 0., 0.).
D (ndarray with shape (size, ) or ndarray with shape (n, 3, 3)) –
D (longitudinal splitting) parameters of central spins in ZFS tensor of central spin in kHz.

OR

Total ZFS tensor. Default 0.
E (ndarray with shape (size, )) – E (transverse splitting) parameters of central spins in ZFS tensor of central spin in kHz. Default 0. Ignored if D is None or tensor.
gyro (ndarray with shape (size, ) or ndarray with shape (size, 3, 3))) –
Gyromagnetic ratios of the central spins in rad / ms / G.

OR

Tensors describing central spins interactions with the magnetic field.

Default -17608.597050 kHz * rad / G - gyromagnetic ratio of the free electron spin.
imap (dict or InteractionMap or ndarray with shape (3, 3)) – Dict-like object containing interaction tensors between the central spins of the structure {(i, j): T_ij}. Where i, j are positional indexes of the central spins. If provided as an ndarray with shape (3, 3), assumes the same interactions between all pairs of central spins in the array. If provided with shape (size * (size - 1) / 2, 3, 3), assigns the interactions to the ordered pairs: {(0, 1): imap[0], (0, 2): imap[1] ... (size - 2, size - 1): imap[-1]}
alpha (int or ndarray with shape (S, )) –
\(\ket{0}\) state of the qubit in the product space of all central spins, or the index of eigenstate to be used as one.

Default is None.
beta (int or ndarray with shape (S, )) –
\(\ket{1}\) state of the qubit in the product space of all central spins, or the index of eigenstate to be used as one.

Default is None.
detuning (ndarray with shape (size, )) –
Energy detunings from the Zeeman splitting in kHz, included as an extra \(+\omega \hat S_z\) term in the Hamiltonian, where \(\omega\) is the detuning.

Default is 0.

energy_alpha

Energy of the alpha state. Generated by .generate_projections call if second_order=True.

Type:: float

energy_beta

Energy of the beta state. Generated by .generate_projections call if second_order=True.

Type:: float

energies

Energy of each eingenstate of the central spin Hamiltonian.

Type:: ndarray with shape (n, )

property imap

dict-like object, which contains interactions between central spins.

Type:: InteractionMap

property alpha

\(\ket{0}\) qubit state of the central spin in \(S_z\) basis

OR index of the energy state to be considered as one.

If not provided in the CentralArray instance, returns the tensor product of all alpha states of each element of the array. If there are undefined alpha states of the elements of the array, raises an error.

Examples

>>> ca = CenterArray(2, spin=0.5) # Array of size 2 with spins-1/2
>>> ca[0].alpha = [0,1]
>>> ca[1].alpha = [1,0]
>>> print(ca.alpha)
[0.+0.j 0.+0.j 1.+0.j 0.+0.j]

Type:: ndarray or int

property beta

\(\ket{1}\) qubit state of the central spin in \(S_z\) basis

OR index of the energy state to be considered as one.

Type:: ndarray or int

property state

Initial state of the qubit in gCCE simulations. Assumed to be \(\frac{1}{\sqrt{2}}(\ket{0} + \ket{1})\) unless provided.

Type:: ndarray

property gyro

Tensor describing central spin interactions with the magnetic field or array of spins.

Default -17608.597050 rad / ms / G - gyromagnetic ratio of the free electron spin.

Type:: ndarray with shape (3,3 ) or (n, 3, 3)

add_single_jump(operator, rate=1, units='rad', square_root=False, which=None)

Add single-spin jump operator for the spin to be used in the Lindbladian master equation CCE.

Parameters:

operator (str or ndarray with shape (dim, dim)) –
Definition of the operator. Can be either of the following: * Pair of integers defining the Sven operator. * String where each symbol corresponds to the spin matrix or operation between them.

Allowed symbols: xyz+. If there is nothing between symbols, assume multiplication of the operators. If there is a + symbol, assume summation between terms. For example, xx+z would correspond to the operator \(\hat S_x \hat S_x + \hat S_z\).
- String equal to A. Then assumes that the correct matrix form of the operator has been provided by the user.
rate (float) – Rate associated with the given jump operator. By default, is given in rad ms^-1.
units (str) – Units of the rate, can be either rad (for radial frequency units) or deg (for rotational frequency).
square_root (bool) – True if the rate is given as a square root of the rate (to match how one sets up collapse operators in Qutip). Default False.
which (int) – For which central spin in the center array add the jump operator. Default is None - if there is only one central spin then the jump operator is added, otherwise the exception is raised.

set_zfs(D=0, E=0)

Set Zero Field Splitting of the central spin from longitudinal ZFS D and transverse ZFS E.

Parameters:

D (float or ndarray with shape (3, 3)) –
D (longitudinal splitting) parameter of central spin in ZFS tensor of central spin in kHz.

OR

Total ZFS tensor. Default 0.
E (float) – E (transverse splitting) parameter of central spin in ZFS tensor of central spin in kHz. Default 0. Ignored if D is None or tensor.

set_gyro(gyro)

Set gyromagnetic ratio of the central spin.

Parameters:

gyro (float or ndarray with shape (3, 3)) –

Gyromagnetic ratio of central spin in rad / ms / G.

OR

Tensor describing central spin interactions with the magnetic field.

Default -17608.597050 kHz * rad / G - gyromagnetic ratio of the free electron spin.

point_dipole(): Using point-dipole approximation, generate interaction tensors between central spins.

generate_states(magnetic_field=None, bath=None, projected_bath_state=None)

Compute eigenstates of the central spin Hamiltonian.

Parameters:

magnetic_field (ndarray with shape (3,)) – Array containing external magnetic field as (Bx, By, Bz).
bath (BathArray with shape (m,) or ndarray with shape (m, 3, 3) – Array of all bath spins or array of hyperfine tensors.
projected_bath_state (ndarray with shape (m,) or (m, 3)) – Array of \(I_z\) projections for each bath spin.

generate_projections(second_order=False, level_confidence=0.95)

Generate vectors with the spin projections of the spin states:

\[[\bra{a}\hat{S}_x\ket{a}, \bra{a}\hat{S}_y\ket{a}, \bra{a}\hat{S}_z\ket{a}],\]

where \(\ket{a}\) and is alpha or beta qubit state. They are stored in the .projections_alpha and .projections_beta respectively.

If second_order is set to True, also generates matrix elements of qubit states and all other eigenstates of the central spin Hamiltonian, used in computing second order couplings between bath spins:

\[[\bra{a}\hat{S}_x\ket{b}, \bra{a}\hat{S}_y\ket{b}, \bra{a}\hat{S}_z\ket{b}],\]

where \(\ket{a}\) is qubit level and \(\ket{b}\) are all other energy levels.

This function is called in the CCE routine.

Note

if qubit state are not eigenstates and second_order set to True, for each qubit state finds a close eigenstate (with minimal fidelity between two states set by level_confidence keyword) and uses that one instead of user provided.

Parameters:

second_order (bool) – True if generate properties, necessary for second order corrections.
level_confidence (float) – Minimum fidelity between an eigenstate and provided qubit level for them to be considered the same. Used only if second_order == True.

get_energy(which)

Get energy of the qubit state.

Parameters:: which (str) – alpha for \(\ket{0}\) qubit state, beta for \(\ket{1}\) qubit state.
Returns:: Energy of the qubit state.
Return type:: float

generate_sigma(): Generate Pauli matrices of the qubit in \(S_z\) basis.

add_interaction(i, j, tensor)

Add interactions tensor between bath spins with indexes i and j.

Parameters:

i (int or ndarray (n,)) – Index of the first spin in the pair or array of the indexes of the first spins in n pairs.
j (int or ndarray with shape (n,)) – Index of the second spin in the pair or array of the indexes of the second spins in n pairs.
tensor (ndarray with shape (3,3) or (n, 3,3)) – Interaction tensor between the spins i and j or array of tensors.

Center

Documentation for the pycce.Center class - inner class, containing properties of a single central spin.

class Center(position=None, spin=0, D=0, E=0, gyro=-17608.59705, alpha=None, beta=None, detuning=0)

Class, which contains the properties of the single central spin. Should not be initialized directly - use CenterArray instead.

Parameters:

position (ndarray with shape (3, )) – Cartesian coordinates in Angstrom of the central spin. Default (0., 0., 0.).
spin (float) – Total spin of the central spin.
D (float or ndarray with shape (3, )) –
D (longitudinal splitting) parameter of central spin in ZFS tensor of central spin in kHz.

OR

Total ZFS tensor. Default 0.
E (float) – E (transverse splitting) parameter of central spin in ZFS tensor of central spin in kHz. Default 0. Ignored if D is None or tensor.
gyro (float or ndarray with shape (3, 3))) –
Gyromagnetic ratio of central spin in rad / ms / G.

OR

Tensor describing central spin interactions with the magnetic field.

Default -17608.597050 kHz * rad / G - gyromagnetic ratio of the free electron spin.
alpha (int or ndarray with shape (2*spin + 1, )) –
\(\ket{0}\) state of the qubit in \(S_z\) basis or the index of eigenstate to be used as one.

Default is None.
beta (int or ndarray with shape (2*spin + 1, )) –
\(\ket{1}\) state of the qubit in \(S_z\) basis or the index of eigenstate to be used as one.

Default is None.
detuning (float) –
Energy detuning from the zeeman splitting in kHz, included as an extra \(+\omega \hat S_z\) term in the Hamiltonian, where \(\omega\) is the detuning.

Default 0.

projections_alpha

Vector with spin operator matrix elements of type \([\bra{0}\hat S_x\ket{0}, \bra{0}\hat S_y\ket{0}, \bra{0}\hat S_z\ket{0}]\), where \(\ket{0}\) is the alpha qubit state. Generated by CenterArray.

Type:: ndarray with shape (3,)

projections_beta

Vector with spin operator matrix elements of type \([\bra{1}\hat S_x\ket{1}, \bra{1}\hat S_y\ket{1}, \bra{1}\hat S_z\ket{1}]\), where \(\ket{1}\) is the beta qubit state. Generated by CenterArray.

Type:: ndarray with shape (3,)

projections_alpha_all

ndarray with shape (2s-1, 3): Array of vectors of the central spin matrix elements of form:

\[[\bra{0}\hat{S}_x\ket{j}, \bra{0}\hat{S}_y\ket{j}, \bra{0}\hat{S}_z\ket{j}],\]

where \(\ket{0}\) is the alpha qubit state, and \(\ket{\j}\) are all states.

projections_beta_all

ndarray with shape (2s-1, 3): Array of vectors of the central spin matrix elements of form:

\[[\bra{1}\hat{S}_x\ket{j}, \bra{1}\hat{S}_y\ket{j}, \bra{1}\hat{S}_z\ket{j}],\]

where \(\ket{1}\) is the beta qubit state, and \(\ket{\j}\) are all states.

energies

Array of the central spin Hamiltonian eigen energies.

Type:: ndarray with shape (2s-1,)

eigenvectors

Eigen states of the central spin Hamiltonian.

Type:: ndarray

hamiltonian

Central spin Hamiltonian.

Type:: Hamiltonian

alpha_index

Index of the central spin Hamiltonian eigen state, chosen as alpha state of the qubit.

Type:: int

beta_index

Index of the central spin Hamiltonian eigen state, chosen as beta state of the qubit.

Type:: int

property xyz

Position of the central spin in Cartesian coordinates.

Type:: ndarray with shape (3, )

property gyro

Tensor describing central spin interactions with the magnetic field or array of spins.

Default -17608.597050 rad / ms / G - gyromagnetic ratio of the free electron spin.

Type:: ndarray with shape (3,3 ) or (n, 3, 3)

property zfs

Zero field splitting tensor of the central spin or array of spins.

Type:: ndarray with shape (3, 3) or (n, 3, 3)

property s

Total spin of the central spin or array of spins.

Type:: float or ndarray with shape (n, )

property h

Dictionary with additional spin Hamiltonian parameters. Key denotes the product of spin operators as:

Either a string containing x, y, z, +, - where each symbol is a corresponding spin operator:

x == \(S_x\)

y == \(S_y\)

z == \(S_z\)

p == \(S_+\)

m == \(S_-\)

Several symbols is a product of those spin operators.

Or a tuple with indexes (k, q) for Stevens operators (see https://www.easyspin.org/documentation/stevensoperators.html).

The item is the coupling parameter in float.

Examples

d['pm'] = 2000 corresponds to the Hamiltonian term \(\hat H_{add} = A \hat S_+ \hat S_-\) with \(A = 2\) MHz.
d[2, 0] = 1.5e6 corresponds to Stevens operator \(B^q_k \hat O^q_k = 3 \hat S_z - s(s+1) \hat I\) with \(k = 2\), \(q = 0\), and \(B^q_k = 1.5\) GHz.

Type:: dict

property detuning

Position of the central spin in Cartesian coordinates.

Type:: ndarray with shape (3, )

add_single_jump(operator, rate=1, units='rad', square_root=False, which=None)

Add single-spin jump operator for the spin to be used in the Lindbladian master equation CCE.

Parameters:

operator (str or ndarray with shape (dim, dim)) –
Definition of the operator. Can be either of the following: * Pair of integers defining the Sven operator. * String where each symbol corresponds to the spin matrix or operation between them.

Allowed symbols: xyz+. If there is nothing between symbols, assume multiplication of the operators. If there is a + symbol, assume summation between terms. For example, xx+z would correspond to the operator \(\hat S_x \hat S_x + \hat S_z\).
- String equal to A. Then assumes that the correct matrix form of the operator has been provided by the user.
rate (float) – Rate associated with the given jump operator. By default, is given in rad ms^-1.
units (str) – Units of the rate, can be either rad (for radial frequency units) or deg (for rotational frequency).
square_root (bool) – True if the rate is given as a square root of the rate (to match how one sets up collapse operators in Qutip). Default False.
which (int) – For which central spin in the center array add the jump operator. Default is None - if there is only one central spin then the jump operator is added, otherwise the exception is raised.

set_zfs(D=0, E=0)

Set Zero Field Splitting of the central spin from longitudinal ZFS D and transverse ZFS E.

Parameters:

D (float or ndarray with shape (3, 3)) –
D (longitudinal splitting) parameter of central spin in ZFS tensor of central spin in kHz.

OR

Total ZFS tensor. Default 0.
E (float) – E (transverse splitting) parameter of central spin in ZFS tensor of central spin in kHz. Default 0. Ignored if D is None or tensor.

set_gyro(gyro)

Set gyromagnetic ratio of the central spin.

Parameters:

gyro (float or ndarray with shape (3, 3)) –

Gyromagnetic ratio of central spin in rad / ms / G.

OR

Tensor describing central spin interactions with the magnetic field.

Default -17608.597050 kHz * rad / G - gyromagnetic ratio of the free electron spin.

property alpha

\(\ket{0}\) qubit state of the central spin in \(S_z\) basis

OR

index of the energy state to be considered as one.

Type:: ndarray or int

property beta

\(\ket{1}\) qubit state of the central spin in \(S_z\) basis

OR

index of the energy state to be considered as one.

Type:: ndarray or int

property dim

Dimensions of the central spin or array of spins.

Type:: int or ndarray with shape (n, )

generate_sigma(): Generate Pauli matrices of the qubit in \(S_z\) basis.

property sigma

Dictionary with Pauli matrices of the qubit in \(S_z\) basis.

Type:: dict

generate_states(magnetic_field=None, bath=None, projected_bath_state=None)

Compute eigenstates of the central spin Hamiltonian.

Parameters:

magnetic_field (ndarray with shape (3,)) – Array containing external magnetic field as (Bx, By, Bz).
bath (BathArray with shape (m,) or ndarray with shape (m, 3, 3) – Array of all bath spins or array of hyperfine tensors.
projected_bath_state (ndarray with shape (m,) or (m, 3)) – Array of \(I_z\) projections for each bath spin.

generate_hamiltonian(magnetic_field=None, bath=None, projected_bath_state=None)

Generate central spin Hamiltonian.

Parameters:

magnetic_field (ndarray with shape (3, ) or func) – Magnetic field of type magnetic_field = np.array([Bx, By, Bz]) or callable with signature magnetic_field(pos), where pos is ndarray with shape (3, ) with the position of the spin.
bath (BathArray with shape (n,) or ndarray with shape (n, 3, 3)) – Array of bath spins or hyperfine tensors.
projected_bath_state (ndarray with shape (n, )) – \(S_z\) projections of the bath spin states.

Returns:

Central spin Hamiltonian, including: first order contributions from the bath spins.

Return type:

Hamiltonian

transform(rotation=None, style='col')

Apply coordinate transformation to the central spin.

Parameters:

rotation (ndarray with shape (3, 3)) – Rotation matrix.
style (str) – Can be ‘row’ or ‘col’. Determines how rotation matrix is initialized.