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Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

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#2 Re: Multiwfn and wavefunction analysis » Photoinduced Charge Transfer Analysis » 2024-11-15 16:38:30

Sir, as you previously mentioned, I followed 'Section 3.21.1' and 'Section 4.18.1' for plotting the Photo-Induced Electron Transfer (PET) analysis diagram. However, this procedure only provides a map and does not include the energy state transition figure as illustrated in the attached diagram. I would greatly appreciate it if you could specify which software is used to generate such diagrams.

Additionally, I have another query regarding the Charge Decomposition Analysis (CDA) diagram in Multiwfn. These diagrams often include energy levels indicated in blue. Is it possible to plot the CDA diagram without displaying these energy values?

Screenshot-2024-07-30-210852.jpg
dislin.png

#4 Multiwfn and wavefunction analysis » Photoinduced Charge Transfer Analysis » 2024-07-30 17:55:00

Mrfahim061
Replies: 5

Dear Prof. Tian Lu,

How can I perform this analysis using Multiwfn software?
Screenshot-2024-07-30-210852.jpg

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