Difference between revisions of "Rydmr exp.m"
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| − | Singlet-singlet RYDMR experiment with exponential recombination function. | + | {{DISPLAYTITLE:rydmr_exp.m}} |
| + | 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) | A=rydmr_exp(spin_system,parameters,H,R,K) | ||
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| − | |||
| − | |||
==Arguments== | ==Arguments== | ||
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parameters.electrons - numbers identifying the two electrons | parameters.electrons - numbers identifying the two electrons | ||
in the isotope list, e.g. [1 2] | 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 | A - a matrix of singlet yields with dimensions | ||
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==Examples== | ==Examples== | ||
| − | The following calculation (singlet_yield_5.m in examples/spin_chemistry) reproduces Figure 5 from the | + | The following calculation (singlet_yield_5.m in examples/spin_chemistry) reproduces Figure 5 from the reference cited above. |
[[File:rydmr_exp.png|center|frame|Figure 5 from the paper by Timmel, Till, Brocklehurst, McLauchlan and Hore.]] | [[File:rydmr_exp.png|center|frame|Figure 5 from the paper by Timmel, Till, Brocklehurst, McLauchlan and Hore.]] | ||
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| − | ''Version | + | ''Version 2.2, authors: [[Hannah Hogben]], [[Peter Hore]], [[Ilya Kuprov]]'' |
Revision as of 11:33, 22 August 2018
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.
Contents
Syntax
A=rydmr_exp(spin_system,parameters,H,R,K)
Arguments
parameters.fields - row vector of field values, Tesla
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.
Figure 5 from the paper by Timmel, Till, Brocklehurst, McLauchlan and Hore.
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
Version 2.2, authors: Hannah Hogben, Peter Hore, Ilya Kuprov
