I'm using some DFT calculations to compute Transition Dipole Moments between the HOMO and LUMO of a molecule in different geometries. Intuitively, this is closely related to the relative probability (at each geometry) of the system being excited when radiation hits it, i.e, quantum yield. This is precisely what I don't know how to do, or even to which degree it holds true. How is the relationship between Transition Dipole Moments and Quantum Yield?


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