How to include nuclear Zeeman interaction?

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IronPhoenix
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Joined: Fri Dec 18, 2020 2:01 pm

How to include nuclear Zeeman interaction?

Post by IronPhoenix »

Dear all,

I would like to know how to include the nuclear Zeeman interaction into the Spin Hamiltonian.

Sys = struct('S',1/2,'g',2,'lw',0.001);
Sys = nucspinadd(Sys,'9Be',[1 2 3])

Would this already include the nuclear Zeeman term?
If yes, how could this be shown?
If no, what would have to be done?

Stefan Stoll
EasySpin Creator
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Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: How to include nuclear Zeeman interaction?

Post by Stefan Stoll »

The nuclear Zeeman interaction is automatically included whenever you add a magnetic nucleus, just like the electron Zeeman interaction is automatically included if you add an electron spin.

IronPhoenix
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Posts: 14
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Re: How to include nuclear Zeeman interaction?

Post by IronPhoenix »

Thank you. I was only confused because the nuclear Zeeman (and quadrupole) interaction are neglected for a purely perturbative approach (e.g. Opt.Method = 'perturb2';).

IronPhoenix
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Posts: 14
Joined: Fri Dec 18, 2020 2:01 pm

Re: How to include nuclear Zeeman interaction?

Post by IronPhoenix »

I currently have to deal with a system of one electron spin and several quadrupolar nuclei.
Is there any possibility except Opt.Method = 'matrix' to include the nuclear quadrupole interaction?

Stefan Stoll
EasySpin Creator
Posts: 1053
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: How to include nuclear Zeeman interaction?

Post by Stefan Stoll »

Please post a self-contained script that shows what you want to do. Maybe start a new thread, since this different from your original question.

IronPhoenix
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Posts: 14
Joined: Fri Dec 18, 2020 2:01 pm

Re: How to include nuclear Zeeman interaction?

Post by IronPhoenix »

Understood. I consider this thread closed.

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