Multiwfn forum / Exciton coupling module

Re: Exciton coupling module

dummy@example.com (larsa@kth.se) — Wed, 23 Jul 2025 08:07:21 +0000

Many thanks!

Re: Exciton coupling module

dummy@example.com (sobereva) — Tue, 22 Jul 2025 12:34:51 +0000

Hello,

Please check Section 4.A.9 in Multiwfn manual, this section describes how to calculate TrESP via Multiwfn.

Exciton coupling module

dummy@example.com (larsa@kth.se) — Tue, 22 Jul 2025 12:25:16 +0000

Hello,
According to posts on internet, there should be a module for exciton coupling analysis (TrEsp or TDC) based on Gaussin16 wfn or cube output to be found under 'Other functions (Part 1)' (100) and then as option 13. I have downloaded the Multiwfn version from July 2025, but that particular module seems to be missing. Can it be accessed?
Thanks and best regards, Lars