Multiwfn forum / IRI Interaction region indicator analysis for Excited States

Re: IRI Interaction region indicator analysis for Excited States

dummy@example.com (sobereva) — Fri, 31 Jul 2026 01:47:25 +0000

It is fully possible, the only requirement is that you should load wavefunction file corresponding to excited state into Multiwfn, please check http://sobereva.com/wfnbbs/viewtopic.php?id=306

IRI Interaction region indicator analysis for Excited States

dummy@example.com (exlonk.gil) — Thu, 30 Jul 2026 05:08:50 +0000

HI, I hope that anyone who read this is very well, I was wondering if someone have any advice about if its possible to do the IRI analysis in excited states, I use normally TD-DFT in ORCA 6.0.0 , but I don't know if its possible to use the outputs to do IRI. Thanks a lot