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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.




    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 


    A - a matrix of singlet yields with dimensions
        matching the sizes of parameters.rates and


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.


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

Version 2.2, authors: Hannah Hogben, Peter Hore, Ilya Kuprov