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Levelsplot intensity calculation for parallel-mode spectra

Posted: Thu Dec 12, 2024 7:49 am
by thanasis

I am comparing the results of levelsplot for parallel/perpendicular MW modes. While the powder spectra from pepper correctly show the higher intensity of the half-field absorption, the vertical bars in the Zeeman plots do not reflect this.
From the documentation, I see that resfields and pepper pull the mode through Exp.mwMode (though in the code they seem to refer to Exp.Mode). In any case, when levelsplot pulls the results from resfields it doesn't seem to properly import the mw Mode to calculate the transition probabilities that appear on the Zeeman plot.

Is there something I am missing?

Here is a sample code:

Code: Select all

cm=100*clight/1e6; % Conversion constant from cm-1 to MHz
Sys.S=1;
Sys.g=[2 2 2];
Sys.lwpp=[7 2];
Sys.D = [0.05 0]*cm;
Exp.Temperature = 4.5; Exp.mwFreq=9.5; Exp.Range=[0 600]; Exp.nPoints=4096;
Exp.mwMode = 'parallel';
Par.Units = 'cm^-1';

figure(1)
pepper(Sys,Exp)

figure(2)
levelsplot(Sys,'xz',Exp.Range,Exp.mwFreq,Par);

Thanks in advance!


Re: Levelsplot intensity calculation for parallel-mode spectra

Posted: Sun Dec 15, 2024 11:04 pm
by katarkon

Is the 'xz' orientation in levelsplot right? I think it should be 'z' for parallel mode.


Re: Levelsplot intensity calculation for parallel-mode spectra

Posted: Sun Dec 15, 2024 11:35 pm
by thanasis

The orientations on the plots refer to the molecule's orientations with respect to B0. The 'parallel-mode' refers to the orientation of the B1 polarization to B0.

Actually, the half-field transition is enhanced in tilted molecular orientations.


Re: Levelsplot intensity calculation for parallel-mode spectra

Posted: Thu Jan 23, 2025 10:12 pm
by Stefan Stoll

Indeed, there is currently no way to tell levelsplot to calculate parallel-mode intensities. We will have to consider an interface change for levelsplot to implement this. Issue created: https://github.com/StollLab/EasySpin/issues/357