Difference between revisions of "Dnp field scan.m"
(→Arguments) |
(Sync syntax/arguments/outputs with current Spinach source) |
||
| Line 1: | Line 1: | ||
{{DISPLAYTITLE:dnp_field_scan.m}} __NOTOC__ | {{DISPLAYTITLE:dnp_field_scan.m}} __NOTOC__ | ||
| + | |||
Magnetic field scan steady-state DNP experiment. Returns the steady-state population of the user-specified state as a function of magnetic field. | Magnetic field scan steady-state DNP experiment. Returns the steady-state population of the user-specified state as a function of magnetic field. | ||
==Syntax== | ==Syntax== | ||
| − | + | dnp=dnp_field_scan(spin_system,parameters,H,R,K) | |
==Arguments== | ==Arguments== | ||
| − | + | parameters.mw_pwr - microwave power, Hz | |
parameters.mw_frq - microwave frequency offset from | parameters.mw_frq - microwave frequency offset from | ||
| Line 38: | Line 39: | ||
K - kinetics superoperator, received from context function | K - kinetics superoperator, received from context function | ||
| − | == | + | ==Outputs== |
| + | |||
| + | dnp - an array of steady state expectation values for | ||
| + | the states specified in parameters.coil at each | ||
| + | of the fields supplied | ||
| + | |||
| + | Note: the relaxation superoperator should NOT be thermalized | ||
| + | for this type of calculation. | ||
| + | |||
| + | Note: thermal equilibrium state and relaxation superoperator are | ||
| + | assumed to be the same at all fields in the sweep - DO NOT | ||
| + | USE with broad magnetic field sweep experiments. | ||
| − | + | ilya.kuprov@weizmann.ac.il | |
| − | |||
| − | |||
==Examples== | ==Examples== | ||
| + | |||
Cross effect in a system with two spin-1/2 electrons (cross_effect_field_scan_1.m example file in examples/dnp_solids directory): | Cross effect in a system with two spin-1/2 electrons (cross_effect_field_scan_1.m example file in examples/dnp_solids directory): | ||
| Line 54: | Line 65: | ||
==Notes== | ==Notes== | ||
| + | |||
# The relaxation superoperator supplied to this function should NOT be thermalized. | # The relaxation superoperator supplied to this function should NOT be thermalized. | ||
# Thermal equilibrium state is assumed to be the same at all fields in the sweep. Do not use this function for broad magnetic field sweep experiments. | # Thermal equilibrium state is assumed to be the same at all fields in the sweep. Do not use this function for broad magnetic field sweep experiments. | ||
| Line 59: | Line 71: | ||
==See also== | ==See also== | ||
| + | |||
[[Built-in_experiments#DNP_experiments|DNP experiments]] | [[Built-in_experiments#DNP_experiments|DNP experiments]] | ||
''Version 2.5, authors: [[Ilya Kuprov]], [[Walter Kockenberger]], [[Alexander Karabanov]], [[Maria Grazia Concilio]]'' | ''Version 2.5, authors: [[Ilya Kuprov]], [[Walter Kockenberger]], [[Alexander Karabanov]], [[Maria Grazia Concilio]]'' | ||
| + | |||
| + | ==Returns== | ||
| + | |||
| + | dnp - an array of the steady state amplitudes of the | ||
| + | states specified in parameters.coil as at each | ||
| + | of the magnetic fields supplied | ||
Revision as of 15:05, 5 April 2026
Magnetic field scan steady-state DNP experiment. Returns the steady-state population of the user-specified state as a function of magnetic field.
Syntax
dnp=dnp_field_scan(spin_system,parameters,H,R,K)
Arguments
parameters.mw_pwr - microwave power, Hz
parameters.mw_frq - microwave frequency offset from
the free electron frequency at
the reference B0 field, Hz
parameters.fields - a vector of magnetic field off-
sets from the reference B0 field,
Tesla
parameters.rho0 - equilibrium state at the reference
B0 field
parameters.coil - detection state vector or a horizon-
tal stack thereof
parameters.mw_oper - microwave irradiation operator
parameters.ez_oper - Lz operator on the electrons
parameters.method - 'backslash' to use Matlab's
linear equation solver, 'gmres'
to use ILU preconditioned GMRES
H - Hamiltonian matrix, received from context function
R - relaxation superoperator, received from context function
K - kinetics superoperator, received from context function
Outputs
dnp - an array of steady state expectation values for
the states specified in parameters.coil at each
of the fields supplied
Note: the relaxation superoperator should NOT be thermalized
for this type of calculation.
Note: thermal equilibrium state and relaxation superoperator are
assumed to be the same at all fields in the sweep - DO NOT
USE with broad magnetic field sweep experiments.
ilya.kuprov@weizmann.ac.il
Examples
Cross effect in a system with two spin-1/2 electrons (cross_effect_field_scan_1.m example file in examples/dnp_solids directory):
Solid effect in a system with a spin-7/2 gadolinium ion (solid_effect_field_scan_1.m example file in examples/dnp_solids directory):
Notes
- The relaxation superoperator supplied to this function should NOT be thermalized.
- Thermal equilibrium state is assumed to be the same at all fields in the sweep. Do not use this function for broad magnetic field sweep experiments.
- Backslash method is recommended for small spin systems and GMRES method for large ones.
See also
Version 2.5, authors: Ilya Kuprov, Walter Kockenberger, Alexander Karabanov, Maria Grazia Concilio
Returns
dnp - an array of the steady state amplitudes of the
states specified in parameters.coil as at each
of the magnetic fields supplied
