Hello all--I just learned about the appearance of forbidden transitions, and was wondering if EasySpin was able to simulate a spectrum such as the one attached.
Many thanks as always!
Of course. Forbidden transitions are automatically included when you simulate solid-state spectra with pepper - unless you use the Opt.Method =perturb` option.
Thanks again Professor Stoll--unfortunately, I'm not having much luck with this. Is there a specific line of code that I need to include in the script to make sure that the forbidden transitions are included in the simulation?
It was quite simple to simulate a Mn spectrum when there were no visible forbidden transitions (please see attached). I wonder if I'm missing a step that is obvious to the experienced user?
Thanks again!