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intensities in resfields, high-temp limit #91
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stestoll
added
minor
Something that only requires a little work
bug
Something isn't working
labels
Sep 18, 2019
The transition rate for |
Here is an example that illustrates the issue. The 2-spin and 1-spin spectra have different area ratios, depending on whether clear, clc
g1 = 2;
g2 = 2.1;
Sys1.S = 1/2;
Sys1.g = (g1+g2)/2;
Sys1.lw = 0.3;
Sys2.S = [1/2 1/2];
Sys2.g = [g1 g2];
Sys2.ee = 100;
Sys2.lw = Sys1.lw;
Exp.Range = [310 350];
Exp.mwFreq = 9.5;
Exp.Harmonic = 0;
Exp.MolFrame = [10 20 30]*pi/180;
Exp.Temperature = 293;
[B,spc1a] = pepper(Sys1,Exp);
[B,spc2a] = pepper(Sys2,Exp);
Exp.Temperature = NaN;
[B,spc1b] = pepper(Sys1,Exp);
[B,spc2b] = pepper(Sys2,Exp);
sum(spc2a)/sum(spc1a)
sum(spc2b)/sum(spc1b)
tiledlayout('vertical')
nexttile
plot(B,spc1a,B,spc2a);
legend('1 spins','2 spins')
title('Exp.Temperature = 293')
nexttile
plot(B,spc1b,B,spc2b);
legend('1 spins','2 spins')
title('Exp.Temperature = NaN') |
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There is an inconsistency with intensity scaling in the high-temperature limit in
resfields
for systems with multiple electron spins. (resfields_perturb
does not support multiple electrons.)In the following script, the numerical values in
I1
andI2
should be identical, but they are not.I1T
andI2T
are correct.The text was updated successfully, but these errors were encountered: