Difference between revisions of "Rydmr.m"
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| − | Singlet-singlet RYDMR experiment | + | {{DISPLAYTITLE:rydmr.m}} __NOTOC__ |
| + | Singlet-singlet RYDMR experiment. 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. | ||
| − | + | ==Syntax== | |
| − | + | A=rydmr(spin_system,parameters,H,R,K) | |
| − | + | ==Parameters== | |
| − | + | parameters.tol - BICG solver tolerance, | |
| − | + | 1e-2 is generally good | |
| − | + | ==Outputs== | |
| − | + | ||
| + | A - fractional singlet yield | ||
| + | |||
| + | ==Examples== | ||
| + | See examples/spin_chemistry directory. | ||
| + | |||
| + | ==Notes== | ||
| + | # This function runs much faster on Tesla GPUs: add 'gpu' to sys.enable cell array. | ||
| + | # For a simplified (and much faster) exponential recombination kinetics model, see [[rydmr_exp.m]] function. | ||
| + | |||
| + | ==See also== | ||
| + | [[rydmr_exp.m]], [[zerofield.m]], [[zulf_abrupt.m]], [[Built-in_experiments]] | ||
| + | |||
| + | ''Version 2.2, authors: [[Hannah Hogben]], [[Peter Hore]], [[Ilya Kuprov]]'' | ||
Latest revision as of 19:41, 6 June 2026
Singlet-singlet RYDMR experiment. 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.
Syntax
A=rydmr(spin_system,parameters,H,R,K)
Parameters
parameters.tol - BICG solver tolerance,
1e-2 is generally good
Outputs
A - fractional singlet yield
Examples
See examples/spin_chemistry directory.
Notes
- This function runs much faster on Tesla GPUs: add 'gpu' to sys.enable cell array.
- For a simplified (and much faster) exponential recombination kinetics model, see rydmr_exp.m function.
See also
rydmr_exp.m, zerofield.m, zulf_abrupt.m, Built-in_experiments
Version 2.2, authors: Hannah Hogben, Peter Hore, Ilya Kuprov
