Multiwfn forum / citation for interfragment charge transfer (IFCT) method

Re: citation for interfragment charge transfer (IFCT) method

dummy@example.com (sobereva) — Tue, 12 Jul 2022 23:13:39 +0000

Dear Krishnayan

Please also cite original paper of Multiwfn, as shown when Multiwfn boots up

Best,

Tian

Re: citation for interfragment charge transfer (IFCT) method

dummy@example.com (basuroyk) — Tue, 12 Jul 2022 14:03:00 +0000

Dear Tian,
Thanks. So for the time being I should only cite the Multiwfn manual!

Best regards,
Krishnayan

Re: citation for interfragment charge transfer (IFCT) method

dummy@example.com (sobereva) — Tue, 12 Jul 2022 12:30:22 +0000

Dear Krishnayan,

Currently please Multiwfn manual such as:
Tian Lu, Multiwfn manual, Section 3.21.8, available at http://www.shanxitv.org/multiwfn
I will write introduction paper of IFCT in the future.

Best,

Tian

citation for interfragment charge transfer (IFCT) method

dummy@example.com (basuroyk) — Tue, 12 Jul 2022 11:37:51 +0000

Dear All,
I am quite new to Multiwfn and in general in the world of quantum chemical calculations. I have used Multiwfn to calculate charge transfer matrix between different fragments by the inter-fragment charge transfer (IFCT) method. It would be great if you could suggest a reference that I could cite to refer the IFCT method.

Best regards,
Krishnayan