Corrfun.m

Wigner matrix element correlation function under isotropic, axial, and rhombic rotational diffusion.

Syntax

    [weights,rates,states]=corrfun(spin_system,n,k,m,p,q)

Arguments

    spin_system  - the output of create.m to which ro-
                   tational correlation time should have 
                   been supplied. For a single correlation
                   time, the isotropic rotational diffusi-
                   on model is used; a vector with two
                   correlation times is assumed to be cor-
                   relation times for rotation around and
                   perpendicularly to the main axis res-
                   pectively); a vector with three corre-
                   lation times is assumed to be the cor-
                   relation times for the rotation around
                   the XX, YY and ZZ direction respecti-
                   vely of the rotational diffusion tensor.

     n,k,m,p,q   - the five indices found in the ensemble-
                   averaged Wigner function product:

                         <D{n}{k,m}(0)*D{n}{p,q}(t)'>

Outputs

     weights     - a cell array (one element for each che-
                   mical species) of vectors listing the 
                   weights of the exponential components
                   of the decays

     rates       - a cell array (one element for each che-
                   mical species) of vectors listing the 
                   decay rates (negative numbers) of the
                   exponential components of the decays

     states      - a cell array (one element for each che-
                   mical species) of logical vectors indi-
                   cating which states in the basis set
                   belong to which chemical species

Notes

1. Wigner function indices are sorted in descending order, that is, k=[1 2 3 4 5] in the input represents [2 1 0 -1 -2] for n=2.
2. Second rank rotational correlation times (as per Spinach input) will be updated automatically if other ranks are specified.

See also

relaxation.m, lindbladian.m, rwalk.m

Version 2.3, authors: Ilya Kuprov