Difference between revisions of "Rydmr.m"
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| − | Singlet-singlet RYDMR experiment | + | Singlet-singlet RYDMR experiment. |
| − | + | ==Syntax== | |
| − | + | A=rydmr(spin_system,parameters,H,R,K) | |
| − | + | ==Description== | |
| + | This is a spin chemistry experiment involving a radical pair. See http://dx.doi.org/10.1080/00268979809483134 for a detailed description. This function uses the full kinetics superoperator and computes the singlet yield of a radical pair recombination reaction. | ||
| − | + | ==Arguments== | |
| − | |||
| − | + | parameters.tol - BICG solver tolerance, | |
| − | + | 1e-2 is generally good | |
| + | |||
| + | ==Returns== | ||
| + | |||
| + | A - fractional singlet yield | ||
| + | |||
| + | ==Examples== | ||
| + | See examples/spin_chemistry directory. | ||
| + | |||
| + | ==Notes== | ||
| + | For a simplified (and much faster) exponential recombination kinetics model, see [[rydmr_exp.m]] function. | ||
| + | |||
| + | ==See also== | ||
| + | [[rydmr_exp.m]] | ||
| + | |||
| + | |||
| + | ''Version 1.10, authors: [[Ilya Kuprov]]'' | ||
Revision as of 17:23, 15 July 2017
Singlet-singlet RYDMR experiment.
Syntax
A=rydmr(spin_system,parameters,H,R,K)
Description
This is a spin chemistry experiment involving a radical pair. See http://dx.doi.org/10.1080/00268979809483134 for a detailed description. This function uses the full kinetics superoperator and computes the singlet yield of a radical pair recombination reaction.
Arguments
parameters.tol - BICG solver tolerance,
1e-2 is generally good
Returns
A - fractional singlet yield
Examples
See examples/spin_chemistry directory.
Notes
For a simplified (and much faster) exponential recombination kinetics model, see rydmr_exp.m function.
See also
Version 1.10, authors: Ilya Kuprov
