Difference between revisions of "Rydmr exp.m"
(Sync syntax/arguments/outputs with current Spinach source) |
(Update function See also links and function index membership) |
||
| (5 intermediate revisions by the same user not shown) | |||
| Line 1: | Line 1: | ||
{{DISPLAYTITLE:rydmr_exp.m}} __NOTOC__ | {{DISPLAYTITLE:rydmr_exp.m}} __NOTOC__ | ||
| − | |||
Singlet-singlet RYDMR experiment with exponential recombination function. This is a spin chemistry experiment involving a radical pair. See http://dx.doi.org/10.1080/00268979809483134 for a detailed description. | Singlet-singlet RYDMR experiment with exponential recombination function. This is a spin chemistry experiment involving a radical pair. See http://dx.doi.org/10.1080/00268979809483134 for a detailed description. | ||
==Syntax== | ==Syntax== | ||
| − | + | A=rydmr_exp(spin_system,parameters,H,R,K) | |
| − | == | + | ==Parameters== |
| − | parameters.fields - row vector of field values, Tesla | + | parameters.fields - row vector of field values, Tesla; the |
| + | primary magnet field should be set to | ||
| + | sys.magnet=1 for normalisation purposes | ||
parameters.rates - row vector of singlet recombination | parameters.rates - row vector of singlet recombination | ||
| Line 24: | Line 25: | ||
==Outputs== | ==Outputs== | ||
| − | A - a matrix of singlet yields with dimensions | + | A - a matrix of singlet yields with dimensions |
matching the sizes of parameters.rates and | matching the sizes of parameters.rates and | ||
parameters.fields | parameters.fields | ||
| − | + | ||
==Examples== | ==Examples== | ||
| − | |||
The following calculation (singlet_yield_5.m in examples/spin_chemistry) reproduces Figure 5 from the reference cited above. | The following calculation (singlet_yield_5.m in examples/spin_chemistry) reproduces Figure 5 from the reference cited above. | ||
| Line 35: | Line 35: | ||
==Notes== | ==Notes== | ||
| − | |||
The function uses resolvent transforms in Liouville space and auxiliary matrices in Hilbert space. Exponential recombination kinetics is built into this function, do not combine with inter.chem.rp_rates parameter. If a more accurate description of recombination kinetics is required, use [[rydmr.m]] function. | The function uses resolvent transforms in Liouville space and auxiliary matrices in Hilbert space. Exponential recombination kinetics is built into this function, do not combine with inter.chem.rp_rates parameter. If a more accurate description of recombination kinetics is required, use [[rydmr.m]] function. | ||
==See also== | ==See also== | ||
| − | + | [[rydmr.m]], [[expmint.m]], [[deer_3p_hard_deer.m]], [[deer_3p_hard_echo.m]], [[deer_3p_soft_deer.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]], [[deer_analyt.m]], [[endor_cw.m]], [[endor_davies.m]], [[endor_mims.m]], [[endor_mims_echo.m]], [[endor_mims_ideal.m]], [[eseem.m]], [[fieldsweep.m]], [[hyscore.m]], [[oopeseem.m]], [[rapidscan.m]], [[ridme.m]], [[sifter.m]], [[Built-in_experiments]] | |
| − | [[rydmr.m]], [[expmint.m]] | ||
| − | |||
''Version 2.2, authors: [[Hannah Hogben]], [[Peter Hore]], [[Ilya Kuprov]]'' | ''Version 2.2, authors: [[Hannah Hogben]], [[Peter Hore]], [[Ilya Kuprov]]'' | ||
Latest revision as of 19:41, 6 June 2026
Singlet-singlet RYDMR experiment with exponential recombination function. This is a spin chemistry experiment involving a radical pair. See http://dx.doi.org/10.1080/00268979809483134 for a detailed description.
Syntax
A=rydmr_exp(spin_system,parameters,H,R,K)
Parameters
parameters.fields - row vector of field values, Tesla; the
primary magnet field should be set to
sys.magnet=1 for normalisation purposes
parameters.rates - row vector of singlet recombination
rate constants, Hz
parameters.electrons - numbers identifying the two electrons
in the isotope list, e.g. [1 2]
parameters.needs - must contain 'zeeman_op', this is an
instruction to the kernel to provide a
separate Zeeman operator for field sweep
purposes
Outputs
A - a matrix of singlet yields with dimensions
matching the sizes of parameters.rates and
parameters.fields
Examples
The following calculation (singlet_yield_5.m in examples/spin_chemistry) reproduces Figure 5 from the reference cited above.
Notes
The function uses resolvent transforms in Liouville space and auxiliary matrices in Hilbert space. Exponential recombination kinetics is built into this function, do not combine with inter.chem.rp_rates parameter. If a more accurate description of recombination kinetics is required, use rydmr.m function.
See also
rydmr.m, expmint.m, deer_3p_hard_deer.m, deer_3p_hard_echo.m, deer_3p_soft_deer.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, deer_analyt.m, endor_cw.m, endor_davies.m, endor_mims.m, endor_mims_echo.m, endor_mims_ideal.m, eseem.m, fieldsweep.m, hyscore.m, oopeseem.m, rapidscan.m, ridme.m, sifter.m, Built-in_experiments
Version 2.2, authors: Hannah Hogben, Peter Hore, Ilya Kuprov
