Detailed Description

BathSpin structure contains each BathSpin's information.

Note: When you make this structure, the following action would be done automatically. (1) state value would be allocated (2) The dimension of alpha, beta would be checked if it is 2*spin+1 (3) The state would be normalized

Public Attributes
char	name [MAX_CHARARRAY_LENGTH]
	the name of spin

float	spin
	Spin quantum number.

double	gyro
	Gyromagnetic ratio (Unit : radkHz/Gauss)

double	xyz [3]
	Quadrupole moment (Unit : 10^-30 [m^2])

float	state
	Spin sub-level in z-basis (if &General -> nstate != 0, i.e. single-sample approach)

double	detuning
	The detuning value of a bath spin (Unit : radkHz)

double	disorder
	The mean-field effect from zz-coupling with other bath spins (Unit : radkHz)

MatrixXcd *	hypf
	The hyperfine interaction between qubits and a bath spin (Unit : radkHz)

MatrixXcd	quad
	The quadrupole interaction a bath spin (Unit : radkHz)

MatrixXcd	hypf_sub

int	mainspidx

double	mindist

Member Data Documentation

◆ detuning

double BathSpin::detuning

The detuning value of a bath spin (Unit : radkHz)

The artifitial effect to shift energy level of a qubit. Value can be obtained from &Bath -> "bdetuning" (default : 0.0)

Note: Unit in input file (cce.in) : MHz

Todo: Add documentation for cce.in : &Bath -> "bdetuning" tag

◆ disorder

double BathSpin::disorder

The mean-field effect from zz-coupling with other bath spins (Unit : radkHz)

Automatically set if &General -> "nstate" tag is non-zero (default : 0.0)

Todo: Add documentation for cce.in : &Bath -> "disorder" tag

◆ gyro

double BathSpin::gyro

Gyromagnetic ratio (Unit : radkHz/Gauss)

Value can be obtained from &Bath -> gyrofile (no default value)

Todo: Add documentation for cce.in : &Bath -> gyrofile

◆ hypf

MatrixXcd* BathSpin::hypf

The hyperfine interaction between qubits and a bath spin (Unit : radkHz)

Value is obtained from &Bath -> "Atensorfile" (default : 0.0)

hypf[i] : the hyperfine interaction with i-th qubit
Note
Unit in input file (cce.in) : MHz

Todo
Add documentation for cce.in : &Bath -> "Atensorfile" tag

IMPORTANT : The hyperfine interaction to be deleted if QubitArray include the one of the bath spin in A tensor file

◆ name

char BathSpin::name[MAX_CHARARRAY_LENGTH]

the name of spin

Value can be obtained from &Bath -> bathfile (no default value)

Todo: Add documentation for cce.in : &Bath -> bathfile

◆ quad

MatrixXcd BathSpin::quad

The quadrupole interaction a bath spin (Unit : radkHz)

Value is obtained from &Bath -> "qtensorfile" (default : 0.0)

Note

- Unit in input file (cce.in) &Defect -> "dquad" : MHz

Unit in input file (cce.in) &Bath -> "qtensorfile" : Hatree/Bohr_radius^2

Todo: Above

Note: have to be unified with one unit (MHz seems better.. but the problem is how to get Qtensorfile..)

Todo

Add documentation for cce.in : &Bath -> "qtensorfile" tag

IMPORTANT : The quadrupole interaction to be deleted if QubitArray include the one of the bath spin in Q tensor file

◆ spin

float BathSpin::spin

Spin quantum number.

Value can be obtained from &Bath -> gyrofile (no default value)

◆ state

float BathSpin::state

Spin sub-level in z-basis (if &General -> nstate != 0, i.e. single-sample approach)

Value can be obtained from the following : (no default value)

&Bath -> statefile (fixed) // old version
&General -> nstate (randomly generated)
&General -> seed (fixed) // new version to fix
Note
The state would be normalized and The length of state = 2*spin+1

Todo
Add documentation for cce.in : &Bath -> "statefile" -> "substatefile" tag

Add documentation for cce.in : &General -> "nstate" and &General -> "seed" tag

Replace the way to get fixed state from reading "file" to using "seed"

◆ xyz

double BathSpin::xyz[3]

Quadrupole moment (Unit : 10^-30 [m^2])

Value can be obtained from &Bath -> qtensorfile (default : 0.0)

cf. eQ = 20.44[Q/millibarn = Q * 10^-31 m^2] , in DFT eQ = 2.044 * 10^-30 [m^2]
Note
Unit in input file (cce.in) : (Unit : 10^-30 [m^2])
Todo
Add documentation for cce.in : &Bath -> qtensorfile

When you read quadrupole tensor,
- you have to get them with unit Hatree/Bohr_radius^2 (QE) -> Think about How to do this
- you have to get them with unit MHz (VASP) -> Think about How to do this
- which one is better? -> Think about How to do this
Now, there is no default value for eq. In future, add the information of each spin' eQ in code internally.

Spin position (Unit : Angstrom)