Reproducing spectral simulations

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suhang
Newbie
Posts: 4
Joined: Mon Aug 19, 2024 6:51 pm

Reproducing spectral simulations

Post by suhang »

Hi all,
I am trying to reproduce a multi-trace EPR spectrum similar to the one attached (see image). The spectra contain three panels (A, B, C) with different spin states (S = 5/2 and S = 7/2) and different E/D values. I would like to know how to set up the simulation parameters and plotting commands in EasySpin to achieve similar results
Best regards,
Su

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fig1_ABC.png
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katarkon
Local Expert
Posts: 209
Joined: Mon Jan 12, 2015 4:01 am

Re: Reproducing spectral simulations

Post by katarkon »

You have to use pepper function with muliple component spectrum https://easyspin.org/easyspin/documenta ... icomponent
See also definition of zerofield splitting from D and E https://easyspin.org/easyspin/documenta ... tem.html#D

suhang
Newbie
Posts: 4
Joined: Mon Aug 19, 2024 6:51 pm

Re: Reproducing spectral simulations

Post by suhang »

Thank you for your reply. I will take a careful look and give it a try.

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