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Nuclear spin forbidden transitions

Posted: Mon Jul 15, 2019 4:07 am
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!

Re: Nuclear spin forbidden transitions

Posted: Wed Jul 24, 2019 9:33 am
by nwili
Please post a minimal example of your script. What parameters do you use?

Re: Nuclear spin forbidden transitions

Posted: Wed Jul 31, 2019 1:21 am
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);