Levelsplot intensity calculation for parallel-mode spectra

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thanasis
Local Expert
Posts: 260
Joined: Thu Jan 21, 2016 6:28 am
Location: Strasbourg

Levelsplot intensity calculation for parallel-mode spectra

Post 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!

katarkon
Local Expert
Posts: 196
Joined: Mon Jan 12, 2015 4:01 am

Re: Levelsplot intensity calculation for parallel-mode spectra

Post by katarkon »

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

thanasis
Local Expert
Posts: 260
Joined: Thu Jan 21, 2016 6:28 am
Location: Strasbourg

Re: Levelsplot intensity calculation for parallel-mode spectra

Post 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.

Stefan Stoll
EasySpin Creator
Posts: 1120
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Levelsplot intensity calculation for parallel-mode spectra

Post 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

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