Difference between revisions of "Oopeseem.m"
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{{DISPLAYTITLE:oopeseem.m}} __NOTOC__ | {{DISPLAYTITLE:oopeseem.m}} __NOTOC__ | ||
| − | Out-of-phase ESEEM pulse sequence with the first pulse | + | Out-of-phase ESEEM pulse sequence with the first pulse set to pi/4 to probe two-electron correlations in the initial condition. |
==Syntax== | ==Syntax== | ||
| Line 6: | Line 6: | ||
fid=oopeseem(spin_system,parameters,H,R,K) | fid=oopeseem(spin_system,parameters,H,R,K) | ||
| − | == | + | ==Parameters== |
parameters.npoints number of time points to be | parameters.npoints number of time points to be | ||
computed | computed | ||
| − | + | ||
parameters.timestep simulation time step, seconds | parameters.timestep simulation time step, seconds | ||
| − | + | ||
parameters.rho0 initial state | parameters.rho0 initial state | ||
| − | + | ||
parameters.coil detection state | parameters.coil detection state | ||
| − | + | ||
parameters.screen optional screen state (must be | parameters.screen optional screen state (must be | ||
the Hermitian conjugate of the | the Hermitian conjugate of the | ||
detection state) | detection state) | ||
| − | + | ||
parameters.pulse_op pulse operator A, the propagators | parameters.pulse_op pulse operator A, the propagators | ||
for the pulses will be exp(-i*A*pi) | for the pulses will be exp(-i*A*pi) | ||
and exp(-i*A*pi/4) | and exp(-i*A*pi/4) | ||
| − | + | ||
H - Hamiltonian matrix, received from context function | H - Hamiltonian matrix, received from context function | ||
| − | + | ||
R - relaxation superoperator, received from context function | R - relaxation superoperator, received from context function | ||
| − | + | ||
K - kinetics superoperator, received from context function | K - kinetics superoperator, received from context function | ||
| Line 38: | Line 38: | ||
Figure 3a in http://dx.doi.org/10.1021/bi048445d is reproduced in examples/esr_solids/oop_eseem_photosystem_1.m example file. The output appears below. | Figure 3a in http://dx.doi.org/10.1021/bi048445d is reproduced in examples/esr_solids/oop_eseem_photosystem_1.m example file. The output appears below. | ||
| − | [File:oopeseem.png] | + | [[File:oopeseem.png]] |
==Notes== | ==Notes== | ||
| − | The sequence uses ideal pulses, replace with shaped_pulse_af | + | The sequence uses ideal pulses, replace with calls to [[shaped_pulse_af.m]] to have soft pulses instead. |
==See also== | ==See also== | ||
| − | [[eseem.m]], [[ | + | [[eseem.m]], [[hyscore.m]], [[deer_analyt.m]], [[deer_3p_soft_deer.m]], [[shaped_pulse_af.m]], [[deer_3p_hard_deer.m]], [[deer_3p_hard_echo.m]], [[deer_3p_soft_diag.m]], [[deer_3p_soft_hole.m]], [[deer_4p_soft_deer.m]], [[deer_4p_soft_diag.m]], [[deer_4p_soft_hole.m]], [[endor_cw.m]], [[endor_davies.m]], [[endor_mims.m]], [[endor_mims_echo.m]], [[endor_mims_ideal.m]], [[fieldsweep.m]], [[rapidscan.m]], [[ridme.m]], [[rydmr_exp.m]], [[sifter.m]], [[Built-in_experiments]] |
| − | |||
''Version 2.4, authors: [[Luke Edwards]], [[Ilya Kuprov]]'' | ''Version 2.4, authors: [[Luke Edwards]], [[Ilya Kuprov]]'' | ||
Latest revision as of 19:39, 6 June 2026
Out-of-phase ESEEM pulse sequence with the first pulse set to pi/4 to probe two-electron correlations in the initial condition.
Syntax
fid=oopeseem(spin_system,parameters,H,R,K)
Parameters
parameters.npoints number of time points to be
computed
parameters.timestep simulation time step, seconds
parameters.rho0 initial state
parameters.coil detection state
parameters.screen optional screen state (must be
the Hermitian conjugate of the
detection state)
parameters.pulse_op pulse operator A, the propagators
for the pulses will be exp(-i*A*pi)
and exp(-i*A*pi/4)
H - Hamiltonian matrix, received from context function
R - relaxation superoperator, received from context function
K - kinetics superoperator, received from context function
Outputs
fid - OOP-ESEEM time trace
Examples
Figure 3a in http://dx.doi.org/10.1021/bi048445d is reproduced in examples/esr_solids/oop_eseem_photosystem_1.m example file. The output appears below.
Notes
The sequence uses ideal pulses, replace with calls to shaped_pulse_af.m to have soft pulses instead.
See also
eseem.m, hyscore.m, deer_analyt.m, deer_3p_soft_deer.m, shaped_pulse_af.m, deer_3p_hard_deer.m, deer_3p_hard_echo.m, deer_3p_soft_diag.m, deer_3p_soft_hole.m, deer_4p_soft_deer.m, deer_4p_soft_diag.m, deer_4p_soft_hole.m, endor_cw.m, endor_davies.m, endor_mims.m, endor_mims_echo.m, endor_mims_ideal.m, fieldsweep.m, rapidscan.m, ridme.m, rydmr_exp.m, sifter.m, Built-in_experiments
Version 2.4, authors: Luke Edwards, Ilya Kuprov
