Difference between revisions of "Rydmr.m"
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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. | 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. | ||
Revision as of 11:16, 22 August 2018
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.
Contents
Syntax
A=rydmr(spin_system,parameters,H,R,K)
Arguments
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
Version 2.2, authors: Hannah Hogben, Peter Hore, Ilya Kuprov
