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#1 Multiwfn and wavefunction analysis » Calculating HRS from Turbomole output » 2024-01-08 15:32:04

bahareh
Replies: 1

Dear Multiwfn people,

I discovered instructions in the software manual on how to calculate quantities associated with Hyper-Rayleigh Scattering (HRS) using Gaussian software output files. Now, I'm curious if it's possible to perform the same calculations using TURBOMOLE output files. If so, could you guide me on how to do it?

Best regards,
Bahareh

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