Multiwfn forum

rikaaardoss

Member

Registered: 2020-07-29

Posts: 20

Local Electron Attachment Energy

Hello to the developers, will it be possible to implement this function https://pubs.acs.org/doi/10.1021/acs.jpca.6b10142 which is analogous to the average local electron affinity (and complementary to the average local ionization energy) but without the apparent problems of using AvLocElectAff?

Thank you in advance for the answer.

Best wishes

R.

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: Local Electron Attachment Energy

I just updated Multiwfn on Multiwfn website, now Local Electron Attachment Energy has been supported as the -27th user-defined function. See Section 4.12.13 of latest Multiwfn manual for application example.