I am a beginner in Gaussian 16 and trying to learn the BEB method. I finished calculating the optimized structure using DFT (B3LYP/6-31G(d)). I have attached the equation used for BEB calculation, where t= T/B, u = U/B (T= Incoming energy of the electron, B= Binding energy, U= Orbital Kinetic energy, N= Orbital occupation number).

I am stuck with extracting ingredients i.e B, U, N from the Gaussian output file. It would be great if someone can point out what I am missing and how to proceed with it.

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