Voigtian dispersion

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liutl
Newbie
Posts: 1
Joined: Thu Aug 08, 2024 5:34 pm

Voigtian dispersion

Post by liutl »

Dear users of EasySpin,
I want to ask a question regarding the dispersion functions calculated using the Voigtian function in this package.
I noticed that the phase and derivative inputs are only assigned to the wider component, and the narrower one is only for convolution.
I thought there would be two ways of calculating dispersion which turned out to give different results.
(1) ydisp = voigtian(x,x0,fwhmGL,0,pi/2)
(2) [yabs ydisp] = voigtian(x,x0,fwhmGL,0,0)
First case: ydisp will be calculated as the convolution of the dispersion of the wider one with the absorption of the narrower one
Second case: ydisp will be calculated as the convolution of the dispersion of both.

Basically what I meant is, using one output but applying a pi/2 phase doesn't achieve the same dispersion function as would be obtained with two output request.
Can someone help explain?

Thanks,
Tianlin

Stefan Stoll
EasySpin Creator
Posts: 1085
Joined: Mon Jul 21, 2014 10:11 pm
Location: University of Washington

Re: Voigtian dispersion

Post by Stefan Stoll »

Hello Tianlin, this is a bug - thanks for reporting! It will be fixed in the next bug fix release 6.0.5.

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