The Wigner-Eckart theorem

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usrmb1
Newbie
Posts: 2
Joined: Tue Feb 23, 2021 2:51 am

The Wigner-Eckart theorem

Post 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.

Stefan Stoll
EasySpin Creator
Posts: 1059
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: The Wigner-Eckart theorem

Post 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.

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