EPR relaxation in time domain

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Posts: 49
Joined: Tue Jul 13, 2021 8:33 am

EPR relaxation in time domain

Post by faq_user »

I have a quick question with regard to spinach functionality; I'm looking to do some ESR simulations of pulse sequences (In particular single frequency PDS sequences SIFTER and DQC) using broadband shaped pulses and I would like to include relaxation in the calculations and I was wondering if Spinach might be a good platform to use for this?

I can see from the user manual that grape.m allows the propagation of a user defined pulse, is it possible to build this into an ESR pulse sequence?
Posts: 72
Joined: Mon Mar 29, 2021 4:26 pm

Re: EPR relaxation in time domain

Post by kuprov »

Redfield theory is supported out of the box -- supply the interaction tensors and the correlation time, press the button. The optimal control module does make automatic use of the resulting relaxation superoperator.

No problem with EPR, Spinach sees no difference between NMR and EPR. If you send me some basic system with basic settings, I can write a BFGS-GRAPE template for you.
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