Multiwfn forum / Photoinduced Charge Transfer Analysis

Re: Photoinduced Charge Transfer Analysis

dummy@example.com (Mrfahim061) — Tue, 06 Aug 2024 04:25:59 +0000

Thank you very much for your response.

dummy@example.com (sobereva) — Tue, 30 Jul 2024 18:47:00 +0000

You can use hole-electron analysis in Multiwfn, see Section 3.21.1 of Multiwfn manual for introduction and Section 4.18.1 for example.

dummy@example.com (Mrfahim061) — Tue, 30 Jul 2024 17:55:00 +0000

Dear Prof. Tian Lu,

How can I perform this analysis using Multiwfn software?