Nuclear spin forbidden transitions

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taylorrl3
Newbie
Posts: 1
Joined: Mon Jul 15, 2019 2:35 am

Nuclear spin forbidden transitions

Post by taylorrl3 »

Hi All,

I am currently trying to simulate a Mn(II) species, however I am unable to simulate the "forbidden doublets" between the 6 main transitions. These arise from Ms=+/-1, Mi=+/-1 forbidden transitions. When I use levelsplot, it appears as though only electron spin forbidden transitions are calculated, and doesn't calculate any nuclear spin forbidden transitions.

Would anyone be able to advise me how to include these in my simulation?

Thanks in advance!
nwili
User
Posts: 25
Joined: Mon Oct 16, 2017 6:27 am

Re: Nuclear spin forbidden transitions

Post by nwili »

Please post a minimal example of your script. What parameters do you use?
joscha_nehrkorn
EasySpin Guru
Posts: 32
Joined: Wed Jan 20, 2016 11:35 am

Re: Nuclear spin forbidden transitions

Post by joscha_nehrkorn »

Levelsplot uses a threshold for plotting. This means all transitions are calculated, but only those with a transition probability above the threshold are displayed. However, if you want to see more (or all) transitions you can adjust that threshold. In the below example all possible transitions are drawn.

Code: Select all

Sys = struct('S', 5/2, 'Nucs', '55Mn', 'A', 250 , 'D', 500);

par.PlotThreshold = 0;

levelsplot(Sys,'x', 400, 9.6, par)
You might want to look at

Code: Select all

[p,i,w,t] = resfields(Sys,Exp); 
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