Difference between revisions of "Solid effect.m"
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| − | + | {{DISPLAYTITLE:solid_effect.m}} __NOTOC__ | |
| + | Solid effect DNP experiment, computed using the large-scale formalism described in (http://dx.doi.org/10.1039/C2CP23233B). The system is restricted to one electron and one nucleus type, but the number of nuclei may be very large. | ||
==Syntax== | ==Syntax== | ||
answer=solid_effect(spin_system,parameters) | answer=solid_effect(spin_system,parameters) | ||
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==Arguments== | ==Arguments== | ||
| − | + | parameters.mw_pwr - microwave power in rad/s | |
| − | + | parameters.theory - level of theory. Set to 'exact' for | |
| − | + | the electron rotating frame calcula- | |
| − | + | tion or to any of the following six | |
| − | + | options for the average Hamiltonian | |
| − | + | theory calculation on top of the el- | |
| − | + | ectron + nuclear rotating frame: | |
| − | + | 'ah_first_order', 'ah_second_order', | |
| − | + | 'ah_third_order', 'kb_first_order', | |
| + | 'kb_second_order', 'kb_third_order'. | ||
| + | See [[average.m]] function for the mea- | ||
| + | ning of these options. | ||
| + | |||
| + | parameters.nuclear_frq - nuclear Zeeman frequency in rad/s | ||
| − | + | parameters.calc_type - set to 'time_dependence' to get the | |
| − | + | time dependence of the longitudinal | |
| + | magnetization and to 'steady_state' | ||
| + | to get the asymptotic longitudinal | ||
| + | magnetization. | ||
| − | + | parameters.time_step - if 'time_dependence' is set in the | |
| + | calc_type parameter, sets the time | ||
| + | step, seconds. | ||
| − | + | parameters.n_steps - if 'time_dependence' is set in the | |
| + | calc_type parameter, sets the num- | ||
| + | ber of time steps. | ||
| + | |||
| + | ==Outputs== | ||
| − | + | answer - with the 'time_dependence' calculation type, the | |
| − | + | function returns the observables detected using | |
| + | the coil states specified at each point in time; | ||
| + | with the 'steady_state' option specified, the | ||
| + | function returns the steady state values detec- | ||
| + | ted using the coil states specified. | ||
==Examples== | ==Examples== | ||
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==Notes== | ==Notes== | ||
| − | # This function | + | # This function generates its own Liouvillian and should be called directly, without a context wrapper. |
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==See also== | ==See also== | ||
| − | [[ | + | [[Built-in_experiments#DNP_experiments|DNP experiments]] |
| − | '' | + | ''Version 2.5, authors: [[Ilya Kuprov]], [[Walter Kockenberger]], [[Alexander Karabanov]]'' |
Revision as of 16:08, 20 September 2020
Solid effect DNP experiment, computed using the large-scale formalism described in (http://dx.doi.org/10.1039/C2CP23233B). The system is restricted to one electron and one nucleus type, but the number of nuclei may be very large.
Syntax
answer=solid_effect(spin_system,parameters)
Arguments
parameters.mw_pwr - microwave power in rad/s
parameters.theory - level of theory. Set to 'exact' for
the electron rotating frame calcula-
tion or to any of the following six
options for the average Hamiltonian
theory calculation on top of the el-
ectron + nuclear rotating frame:
'ah_first_order', 'ah_second_order',
'ah_third_order', 'kb_first_order',
'kb_second_order', 'kb_third_order'.
See average.m function for the mea-
ning of these options.
parameters.nuclear_frq - nuclear Zeeman frequency in rad/s
parameters.calc_type - set to 'time_dependence' to get the
time dependence of the longitudinal
magnetization and to 'steady_state'
to get the asymptotic longitudinal
magnetization.
parameters.time_step - if 'time_dependence' is set in the
calc_type parameter, sets the time
step, seconds.
parameters.n_steps - if 'time_dependence' is set in the
calc_type parameter, sets the num-
ber of time steps.
Outputs
answer - with the 'time_dependence' calculation type, the
function returns the observables detected using
the coil states specified at each point in time;
with the 'steady_state' option specified, the
function returns the steady state values detec-
ted using the coil states specified.
Examples
The following figure is returned by examples/dnp_solids/solid_effect_timedep_1.m function:
Notes
- This function generates its own Liouvillian and should be called directly, without a context wrapper.
See also
Version 2.5, authors: Ilya Kuprov, Walter Kockenberger, Alexander Karabanov
