defining different g tensors for coupled spins

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ct821
Newbie
Posts: 5
Joined: Wed Dec 04, 2024 10:53 am

defining different g tensors for coupled spins

Post by ct821 »

Hi all.

Was wondering if EasySpin can actually handle having two different g tensors.

For example,

Sys.S = [1/2 1/2];

g = [2.0033416 0.0002885 -0.0009103;
0.0000620 2.0038267 0.0003742;
-0.0008922 0.0002308 2.0030146];

r1 = eul2rotm(deg2rad([-173.0, 7.2, 148.2]), 'XYZ');
g1 = r1gr1';

r2 = eul2rotm(deg2rad([178.4, 14.2, -179.4]), 'XYZ');
g2 = r2gr2';

Sys.g = [g1; g2];

does this code work?

Thanks in advance

katarkon
Local Expert
Posts: 209
Joined: Mon Jan 12, 2015 4:01 am

Re: defining different g tensors for coupled spins

Post by katarkon »

The code seems to be right. But Sys.gFrame seems to be a better way. Also, there are no need to define full matrix for g-tensor, the principal values should be enough.

ct821
Newbie
Posts: 5
Joined: Wed Dec 04, 2024 10:53 am

Re: defining different g tensors for coupled spins

Post by ct821 »

How would I define gFrame for each spin though?

katarkon
Local Expert
Posts: 209
Joined: Mon Jan 12, 2015 4:01 am

Re: defining different g tensors for coupled spins

Post by katarkon »

Sys.gFrame = [0 10 0; 23 -45 67]*pi/180; % two electron spins

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