Three-pulse DEER pulse sequence. Idealized hard pulses are used, each pulse only affects its specific electron or transition, depending on the pulse operators supplied.
parameters.rho0 initial state parameters.coil_prob detection state on probe spin parameters.stepsize increment time for the pump pulse sandwich parameters.nsteps number of steps for the pump pulse sandwich parameters.ex_prob excitation operators to be used for parameters.ex_pump the probe and pump electron respec- tively. parameters.output 'brief' returns just the DEER trace, 'detailed' also returns excitation profiles and the EPR spectrum. H - Hamiltonian matrix, received from context function R - relaxation superoperator, received from context function K - kinetics superoperator, received from context function
If 'detailed' is selected as the output option, the following parameters are also required:
parameters.ex_hard hard pulse excitation operator parameters.spectrum_sweep sweep width of the EPR spectrum, Hz parameters.spectrum_nsteps number of time steps in the FID parameters.coil_pump detection state on pump spin
deer.hard_pulse_fid - ('detailed') free induction decay after a non-selective ideal pulse deer.prob_pulse_fid - ('detailed') free induction decay after just the the probe pulse deer.pump_pulse_fid - ('detailed') free induction decay after just the pump pulse deer.deer_trace - DEER signal
A simulation of a system with two Gd(III) ions, probe transition at the edge of the spectrum and pump transition at the centre of the spectrum (examples/esr_solids/hard_3_pulse_deer_gd_2.m), is shown below.
The "noise" comes from incomplete spherical averaging.
Hard pulses are only appropriate for spin-1/2 systems; for higher spin systems transition selective pulse operators must be supplied - see the example set.