Spin Dynamics Forum
Spinach support => Simulations => Topic started by: faq_user on November 15, 2013, 05:54:16 PM
Dear Prof. Kuprov,
I want to extract T1 and T2 relaxation time in a ESR calculation. Is it possible with Spinach code?
Yes – see the ESR relaxation calculations in the example set. You would need to generate the relaxation superoperator and then extract <Lz|R|Lz> matrix element for 1/T1 and <L+|R|L+> matrix element for 1/T2.
I am trying to do something similar with liquid nmr simulations. I can set up a spin system and create the relaxation matrix with something like:
Is this sufficient to determine an estimate of R1 and R2 rates for each spin in the system? I've looked but can not find an example of how I could extract the rates from the matrix. Can you provide an example? Or is there a nice example that returns the R2 and/or R1 rate that I have overlooked in the examples?
yes, you would get the full relaxation matrix. To extract a specific relaxation rate:
1. Generate the state in question (see state.m).
2. Normalize the state (rho=rho/norm(rho,2))
3. Compute rho'*R*rho