overtone_dante.m
Overtone DANTE experiment that runs a DANTE pulse train followed by frequency-domain acquisition at the overtone frequency; because time-domain overtone spectroscopy is difficult (see http://dx.doi.org/10.1039/C4CP03994G), this acquisition mode is preferable in practice, and simulations assumptions should be set to 'qnmr'.
Syntax
spectrum=overtone_dante(spin_system,parameters,H,R,K)
Parameters
parameters.sweep - vector with two elements giving the spectrum frequency extents
in Hz around the overtone frequency
parameters.npoints - number of points in the spectrum
parameters.rho0 - initial state
parameters.coil - detection state
parameters.Lx - X Zeeman operator on the quadrupolar nucleus
parameters.pulse_dur - duration of each pulse, seconds
parameters.pulse_amp - amplitude of each pulse, rad/s
parameters.pulse_num - number of pulses within rotor period
parameters.n_periods - number of rotor periods that the sequence is active for
parameters.spins - overtone-active nucleus, specified as a
single-element cell array
parameters.spc_dim - Fokker-Planck spatial dimension
parameters.rf_frq - pulse frequency offset from the overtone
frequency, Hz
parameters.rate - rotor frequency, Hz
H - Hamiltonian commutation superoperator
R - unthermalised relaxation superoperator
K - chemical kinetics superoperator
Returns
The function returns the overtone spectrum.
Examples
See examples/nmr_overtone/dante_glycine.m example file.
Notes
- Relaxation must be present in the system dynamics, or the matrix inverse-times-vector operation performed by the frequency domain detection module would fail to converge. The relaxation superoperator should not be thermalised.
- Relaxation theory is not applied during the DANTE sequence.
See also
overtone_cp.m, overtone_pa.m, overtone_a.m, slowpass.m, assume.m, Built-in_experiments
Version 2.9, authors: Ilya Kuprov, Marina Carravetta
