Multiwfn forum / What is self interaction error?

Re: What is self interaction error?

dummy@example.com (saeed_E) — Fri, 12 Jan 2024 19:54:51 +0000

Dear Tian,
Thank you very very much.

Sincerely,
Saeed

Re: What is self interaction error?

dummy@example.com (sobereva) — Fri, 12 Jan 2024 19:04:31 +0000

See review article about this aspect: WIREs Comput Mol Sci. 2022;e1631

What is self interaction error?

dummy@example.com (saeed_E) — Sat, 06 Jan 2024 20:32:45 +0000

Dear Tian,
Among computational investigations, there is a sentence which is frequently encountered "this functional highly suffers from self interaction error". If possible, please let me very respectfully ask you what does it mean? I would be highly grateful if you kindly provide a quite simple and understandable response so a person such as me who is not very expert in this field can easily take this concept deeply.

Sincerely,
Saeed