Dear All,

I am trying to obtain the fluorescence emission spectrum of a molecule using Gaussian. I have tried the default Franck Condon methods and the vertical hessian methods available in Gaussian. Neither of these methods seems to work. I was told by the folks in Gaussian tech support that my ES geometry may be sufficiently different from my GS geometry and may have to try other methods of simulating the spectrum. Can you please suggest other methods/references I could try in order to obtain the fluorescence emission spectrum?

Thank you

Madhavan

Similar questions and discussions