Simulate High-Field Triplet Spectra as Sum of Zero-Field Transitions?

[rdill]

I am using pepper to simulate field-swept, spin-polarized powder spectra for photoexcited triplet states. When I request the output as separate transitions, the result is, as expected, a pair of orientationally averaged Zeeman transitions between states of the high-field basis.

Is it possible to project these transitions onto the zero-field basis? I'm imagining that there would now be three transitions (Tx-Ty, Ty-Tz, and Tx-Tz), each of which is orientationally averaged.

I think that something like this would help me understand and visualize the transformation from zero to high-field. Assuming, of course, that this is even a physically meaningful possibility.

[Matt Krzyaniak]

I'm not sure if this is what you're asking for, but it is what I usually default to when thinking about the transitions.

Code: Select all

clear
Sys.S = 1;
Sys.g = 2.00;
Sys.lwpp = 1;
D = 1000;
E = 200;
Sys.D = [D E];
% population of the zf levels low to high energy
Sys.Pop = [1 0 0];

Exp.Harmonic = 0;
Exp.mwFreq = 4;
Exp.Range = [0 200];
Exp.nPoints = 20001;

[field,spec] = pepper(Sys,Exp);
figure(1)

plot(field,spec)

xlabel('Magnetic Field (mT)')
xlim([min(field) max(field)])

figure(2)
ori = 'xyz';
for i = 1:3
  subplot(1,3,i)
  levelsplot(Sys,ori(i),field,Exp.mwFreq)
  title(['B||',ori(i)])
end
hold off

[rdill]

Thank you for the response, Matt. I like to use levelsplot as well and I do find it useful. But I was hoping for a way to break down the field-swept spectrum in a way similar to what Opt.Output = 'separate' gives you, just redistributed across the three triplet transitions rather than the two Zeeman transitions.

[Stefan Stoll]

It's unclear what you want to do. The transitions happen at field, and the Tx/Ty/Tz states are not relevant.

Do you have to get representations of the 3 high-field states in terms of Tx/Ty/Tz?