Difference between revisions of "Dnp field scan.m"
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{{DISPLAYTITLE:dnp_field_scan.m}} __NOTOC__ | {{DISPLAYTITLE:dnp_field_scan.m}} __NOTOC__ | ||
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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) | + | dnp=dnp_field_scan(spin_system,parameters,H,R,K) |
==Arguments== | ==Arguments== | ||
| − | parameters.mw_pwr - microwave power, Hz | + | parameters.mw_pwr - microwave power, Hz |
parameters.mw_frq - microwave frequency offset from | parameters.mw_frq - microwave frequency offset from | ||
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K - kinetics superoperator, received from context function | K - kinetics superoperator, received from context function | ||
| − | == | + | ==Returns== |
| − | dnp - an array of steady state | + | dnp - an array of the steady state amplitudes of the |
| − | + | states specified in parameters.coil as at each | |
| − | + | of the magnetic fields supplied | |
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==Examples== | ==Examples== | ||
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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): | ||
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==Notes== | ==Notes== | ||
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# 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. | ||
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==See also== | ==See also== | ||
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[[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]]'' | ||
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Revision as of 15:48, 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
Returns
dnp - an array of the steady state amplitudes of the
states specified in parameters.coil as at each
of the magnetic fields supplied
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
