Difference between revisions of "Ngce.m"

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''Version 2.2, authors: [[Ilya Kuprov]]''
''Version 2.5, authors: [[Ilya Kuprov]], [[Jim Prestegard]]''

Latest revision as of 14:33, 19 September 2020

Numerical integral route to the Redfield relaxation superoperator.




 H0 - static laboratory frame Hamiltonian commutation su-
      peroperator acting in the background

 H1 - stochastic part of the laboratory frame Hamiltonian 
      commutation superoperator with a zero average, as a
      K by N cell array with the following topology:

       {H(0) H(dt) H(2dt) ... H(Ndt);  % MD trajectory 1
        H(0) H(dt) H(2dt) ... H(Ndt);  % MD trajectory 2
        H(0) H(dt) H(2dt) ... H(Ndt)}; % MD trajectory K

      i.e. the rows are made of individual MD trajectories.

 dt - time step of the MD trajectory, seconds


     R    - laboratory frame relaxation superoperator


A test against the analytical relaxation superoperator is provided in examples/relaxation_theory/ngce_test.m file.


Enough trajectory points must be present to converge each integral, and enough trajectories must be present to converge the average.

See also

relaxation.m, lindbladian.m, magpump.m

Version 2.5, authors: Ilya Kuprov, Jim Prestegard