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by harrymickenzy
Sat Jun 22, 2019 5:37 pm
Forum: General forum
Topic: Unexpected powder spectra after rotation of reference frames
Replies: 1
Views: 1305

Unexpected powder spectra after rotation of reference frames

Dear all, I am performing some preliminary test to simulate spectra of an exchange-coupled pair of largely anisotropic effective doublets. The relevant hamiltonian is then H= B(g1*S1+g2S2)+JS1S2+S1DS2. When simulating the powder spectrum with the code I include below I got two different patterns if ...