How to simulate Rhombograms in this literature

[lulunulibiye]

Hi all，

Is the rhombograms in Figure 2 in the literature simulated by easyspin? If so, how to simulate it?
https://dx.doi.org/10.1021/jacs.0c01351

Thanks
Regards,
Lu

[ykliao]

You can calculate the resfields for an array of E/D.

[Stefan Stoll]

Using the latest Easyspin 6.0.0-dev.53 and MATLAB R2023a:

Code: Select all

clear, clc

EoverD = linspace(0,0.33,34);
D = 100e3;  % MHz  (large)

Sys.S = 5/2;
Sys.g = 2;
Exp.Field = 350;
Exp.MolFrame = [0 0 0];

Opt.Transitions = reshape(1:2*Sys.S+1,2,[]).';
nTransitions = size(Opt.Transitions,1);

sampleframe = {[0 0 0],[0 pi/2 0],[0 pi/2 pi/2]};

for ori = 1:3
  Exp.SampleFrame = sampleframe{ori};
  for k = 1:numel(EoverD)
    Sys.D = D*[1 EoverD(k)];
    nu(k,ori,:) = resfreqs_matrix(Sys,Exp,Opt);
  end
end
geff = planck*1e6*nu/bmagn/Exp.Field/1e-3;

tiledlayout(3,1,"TileSpacing","none")
for k = 1:nTransitions
  nexttile
  plot(EoverD,geff(:,:,nTransitions+1-k),'Linewidth',2);
  xlim([0 0.33]);
  ylim([0 10]);
  if k<nTransitions
    xticklabels('');
  end
  ylabel('g_{eff}')
end
xlabel('E/D')