Dysonian lines

[gojijr]

Hi all dear members of the forum,

I am a completely neophyte in easyspin, but I suspect my question can be pretty simple.
I am trying to simulate a Dysonian lineshape and I am wondering whether there is an already created code to simulate this kind of resonance. I tried to find any reference to Dysonian lines in the forum but didn't find anything.
Could anyone help me with this?

Thank you very much in advance.

[Stefan Stoll]

EasySpin doesn't currently implement the Dyson lineshape, so you need to do it yourself. You could write a function that calculates the lineshape, and then use conv() to convolve it with a stick spectrum simulated with EasySpin.

[kruczala]

Maybe something changed and Dysonian lineshape was implemented?

[Matt Krzyaniak]

While it is not explicitly included, the tools within ES do exist.

Code: Select all

clear

sys.S = 1/2;
sys.g = 2;
sys.lwpp = [0 1];

Exp.Range = [330 350];
Exp.nPoints = 1024;
Exp.mwFreq = 9.517;

[x,y] = pepper(sys,Exp);

% calculate the dispersion
ydisp = hilberttrans(y);
%apply the phase shift which results in a weak Dysonian lineshape
phi = 0;
y = real(ydisp*exp(-1i*phi));
y = y/max(y);
% compared to an analytical equation

% weak dysonian from: PHYSICAL REVIEW B 72, 035209 2005
% dysonian = @(phi,dH,H0,H) cos(phi)/dH^2*( (-2*(H-H0)/dH + tan(phi)*(1-((H-H0)/dH).^2))./(1+((H-H0)/dH).^2).^2);

%A = [Amplitude phase linewidth center ]
dysonian = @(A,x) A(1)*cos(A(2))/A(3)^2*( (-2*(x-A(4))/A(3) + tan(A(2))*(1-((x-A(4))/A(3)).^2))./(1+((x-A(4))/A(3)).^2).^2);
dys = dysonian([1 phi 1 340],x);
dys = dys/max(dys);


plot(x,y,x,dys)

[Stefan Stoll]

Thanks Matt!

There are no current plans of including the Dysonian lineshape in EasySpin.