<![CDATA[Multiwfn forum / Exciton coupling module]]> http://sobereva.com/wfnbbs/viewtopic.php?id=1690 Wed, 23 Jul 2025 08:07:21 +0000 FluxBB <![CDATA[Re: Exciton coupling module]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=5185#p5185 Many thanks!

]]> Wed, 23 Jul 2025 08:07:21 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=5185#p5185 <![CDATA[Re: Exciton coupling module]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=5183#p5183 Hello,

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

]]> Tue, 22 Jul 2025 12:34:51 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=5183#p5183 <![CDATA[Exciton coupling module]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=5181#p5181 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

]]> Tue, 22 Jul 2025 12:25:16 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=5181#p5181