Difference between revisions of "Ngce.m"
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{{DISPLAYTITLE:ngce.m}} | {{DISPLAYTITLE:ngce.m}} | ||
| − | Numerical | + | Numerical integral route to the Redfield relaxation superoperator. |
==Syntax== | ==Syntax== | ||
| − | R=ngce(H,dt) | + | R=ngce(spin_system,H,dt) |
==Arguments== | ==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== | ==Outputs== | ||
R - laboratory frame relaxation superoperator | R - laboratory frame relaxation superoperator | ||
| + | |||
| + | ==Examples== | ||
| + | A test against the analytical relaxation superoperator is provided in examples/relaxation_theory/ngce_test.m file. | ||
==Notes== | ==Notes== | ||
| − | + | Enough trajectory points must be present to converge each integral, and enough trajectories must be present to converge the average. | |
==See also== | ==See also== | ||
Revision as of 15:37, 25 August 2018
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 2.2, authors: Ilya Kuprov
