Difference between revisions of "Overtone a.m"
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| − | + | Frequency domain overtone acquisition. | |
| − | + | ==Syntax== | |
| − | + | spectrum=overtone_a(spin_system,parameters,H,R,K) | |
| − | |||
| − | |||
| − | + | ==Description== | |
| − | + | The function performes frequency-domain acquisition at the overtone frequency. Because time-domain overtone spectroscopy is difficult (see http://dx.doi.org/10.1039/C4CP03994G for details, this mode of acquisition is preferable in practice). | |
| − | |||
| − | + | ==Arguments== | |
| − | + | 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 | ||
| − | + | H - Hamiltonian commutation superoperator | |
| + | |||
| + | R - unthermalised relaxation superoperator | ||
| + | |||
| + | K - chemical kinetics superoperator | ||
| − | Relaxation must be present in the system dynamics, or the matrix | + | ==Returns== |
| − | + | The function returns the populations of the detection state at the frequencies specified. | |
| − | + | ||
| + | ==Examples== | ||
| + | |||
| + | |||
| + | ==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. | ||
| + | |||
| + | ==See also== | ||
| + | [[overtone_cp.m]], [[overtone_dante.m]], [[overtone_hmqc.m]], [[overtone_pa.m]], [[slowpass.m]] | ||
| + | |||
| + | |||
| + | ''Revision 3284, authors: [[Ilya Kuprov]]'' | ||
Revision as of 16:51, 16 August 2016
Frequency domain overtone acquisition.
Syntax
spectrum=overtone_a(spin_system,parameters,H,R,K)
Description
The function performes frequency-domain acquisition at the overtone frequency. Because time-domain overtone spectroscopy is difficult (see http://dx.doi.org/10.1039/C4CP03994G for details, this mode of acquisition is preferable in practice).
Arguments
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
H - Hamiltonian commutation superoperator
R - unthermalised relaxation superoperator
K - chemical kinetics superoperator
Returns
The function returns the populations of the detection state at the frequencies specified.
Examples
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.
See also
overtone_cp.m, overtone_dante.m, overtone_hmqc.m, overtone_pa.m, slowpass.m
Revision 3284, authors: Ilya Kuprov
