Difference between revisions of "Ngce.m"
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Revision as of 15:33, 19 September 2020
Numerical integral route to the Redfield relaxation superoperator.
Contents
Syntax
R=ngce(spin_system,H,dt)
Arguments
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
Outputs
R - laboratory frame relaxation superoperator
Examples
A test against the analytical relaxation superoperator is provided in examples/relaxation_theory/ngce_test.m file.
Notes
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
