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Disclaimer: These are just some observations; I don't claim to know the answer to this question. There's a lot of overlap between both camps, but I think people tend to stick mostly with one kind of system, in their research. You may be largely correct - I'd just like to point out that if we are looking at the simulation engines (rather than what people do)...


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FCBand FCBand is a Python package for simulating vibronic bands of electronic absorption spectroscopy using the Franck-Condon displaced harmonic oscillator (FC-DHO) models. These models are suitable for simulating the unresolved vibronic band shapes of electronic spectra that involve many electronic transitions and vibrational modes. https://comp.chem.umn....


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LEVEL For a diatomic molecule, LEVEL can calculate all Franck-Condon factors (FKF): $$ |\langle \psi_{v,J} | \psi_{v^\prime,J^\prime}\rangle|^2\tag{1}, $$ between rovibrational levels $(v,J)$ of one potential energy curve, and $(v^\prime,J^\prime)$ of another potential energy curve (or the same potential energy curve). To calculate FKF, the variable LXPCT ...


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