Re: Calculating HRS from Turbomole output

dummy@example.com (sobereva) — Tue, 09 Jan 2024 05:35:53 +0000

Dear Bahareh,

Sorry currently Multiwfn doesn't support calculating HRS information based on Turbomole output file.

Best,

Tian

Calculating HRS from Turbomole output

dummy@example.com (bahareh) — Mon, 08 Jan 2024 15:32:04 +0000

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

Multiwfn forum / Calculating HRS from Turbomole output

Re: Calculating HRS from Turbomole output

Calculating HRS from Turbomole output