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Thank you very much for the reply and I apologize for reporting a known issue here. Nevertheless, I have another question: I have implemented your suggested solution and in the case of the boltzmann-populated doublet-doublet pair it works great. However, if I select a singlet precursor, suddenly onl...

When using the ‘pepper’ function, very strange spectra occur for coupled systems in the vicinity of anticrossings between the levels. As an example, I have simulated two such spectra, one for a doublet-doublet pair and one for a triplet-doublet pair: ddp.png tdp.png It doesn't matter whether you use...