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The Wigner-Eckart theorem

Posted: Wed Feb 24, 2021 2:03 am
by usrmb1

Hi all,
I would like to ask about the Wigner-Eckart theorem. Are Wigner-Eckart theorem and Reduced Matrix Elements included in the calculations? I am interested in 4fn, and 5fn ions ( lanthanides and actinides). Wigner-Eckart theorem and Reduced Matrix Elements are very important.
Best wishes for creators of EasySpin and forum participants.


Re: The Wigner-Eckart theorem

Posted: Thu May 20, 2021 11:33 pm
by Stefan Stoll

Hello! Can you clarify which type of operators you would like to include? EasySpin provides matrix elements for many angular-momentum operators through the function sop - have a look.