I am trying to introduce a perturbation that will simulate electric-dipole transitions from the E1 component of the MW radiation.
As suggested by Stefan:
1) I first need to define the interaction of the E1 field as H1 = E1 * nE1 * He, where E1 is the E-field intensity, nE1 the E-field direction vector and He the rest of the Hamiltonian term depending on the spin degrees of freedom.
2) Then, I need to calculate intensities abs(V(:,i2)'*H1*V(:,i1))^2
to get the transition rate between eigenstates i1 and i2, assuming [V,E] = eig(H0)
where H0 is the static Hamiltonian
Questions:
A) For typical perpendicular-mode EPR transition probabilities, in a general case we would calculate those in the following manner:
Code: Select all
H = sham(Sys,[0,0,0.001]);
[V,E]=eig(H);
[Sx,Sy,Sz] = sop(Sys,'x','y','z');
u = V(:,1);
v = V(:,2);
element12x = u'*Sx*v;
element12y = u'*Sy*v;
ampl12x = abs(element12x);
ampl12y = abs(element12y);
prob12x = ampl12x^2;
prob12y = ampl12y^2;
prob12 = (prob12x + prob12y)/2;
And by extension, I guess that for parallel-mode EPR we should calculate instead:
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element12z = u'*Sz*v;
and change the consecutive ones accordingly.
If I understand correctly, the (time-dependent?) H1 defined in (1) is the light-matter interaction Hamiltonian. As per (2) it should be of the same dimensions (n x n) as the Hilbert size of the problem, therefore, it should be constructed from the Sx
, Sy
, Sz
operators that sop
constructs in its turn? Should I just replace one with another by considering the particular geometry of the experiment? E.g. in a beam experiment, would that mean swap Sx
for Sy
(and vice versa) in a Faraday geometry, and change Sx
/Sy
for Sz
in Voigt geometry?
B) To calculate the magnitude E1, simple electromagnetics show that E1 = c*B1. Typically, we do not know either in absolute terms (we just scale simulated to experimental spectra), so should I just multiply by c in calculating the transition probability amplitudes of electric-dipole transitions?
Thanks for all your help!