Spin expectation values

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Macgomes
Newbie
Posts: 9
Joined: Sat Apr 20, 2019 1:12 am

Spin expectation values

Post by Macgomes »

Hello everyone,,

I was wondering if there is a way to extract the spin expectation values of a multielectron system starting from a description of its Sys.S and Sys.ee.
showbox.bio/ tutuapp.uno/ vidmate.vet/
I suppose that since ES carries out a full matrix calculation the information must be somewhere in there. Do I understand this correctly?

Thanks in advance!
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Stefan Stoll
EasySpin Creator
Posts: 1108
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Spin expectation values

Post by Stefan Stoll »

This should be possible with EasySpin. What exactly do you want to calculate? <S1z+S2z> for each eigenstate of the system? Please clarify.
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