Multiwfn forum / Local excitation and charge transfer

Re: Local excitation and charge transfer

dummy@example.com (Louischarlc0) — Fri, 22 Oct 2021 09:15:01 +0000

Yes I saw the corresponding paper in that section after I browse through the manual again thanks.

Regards
Louis-Charl

Re: Local excitation and charge transfer

dummy@example.com (sobereva) — Thu, 21 Oct 2021 19:23:32 +0000

Please carefully read the paragraph in your screenshot. The threshold is not excitation energy of 2.0 eV, but delta_r of 2.0 Angstrom, they are completely different. The corresponding paper (original paper of delta_r index) has already been mentioned in Section 3.21.4 of Multiwfn manual.

Re: Local excitation and charge transfer

dummy@example.com (Louischarlc0) — Thu, 21 Oct 2021 13:37:20 +0000

It is on page 658 of the previous version of the manual.

Regards
Louis-Charl

Re: Local excitation and charge transfer

dummy@example.com (sobereva) — Wed, 20 Oct 2021 13:09:36 +0000

Dear Louis-Charl,

Please provide a screenshot of Multiwfn manual of corresponding page. I suspect you misunderstood my statement.

Best regards,

Tian

Local excitation and charge transfer

dummy@example.com (Louischarlc0) — Wed, 20 Oct 2021 11:16:08 +0000

Dear Prof Liu

I notice in the multiwfn manual that there is a threshold for local excitations and charge transfer excitations e.g. local excitations is below 2.0 eV and charge transfer excitations should be above 2.00 eV. You also mentioned a full paper that states this. Can you please send me this paper where you got this information from?

Thanks in advance

Regards
Louis-Charl