Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com

You are not logged in.

#1 2020-05-17 23:27:19

sathanas
Member
Registered: 2020-05-17
Posts: 1

transition magnetic dipole moment between excited states

Hi, I would like to ask if it is possible to extract the transition magnetic dipole moment between two excited states, ie in a similar fashion as it is done for the transition electric dipole moment (subfunction 5 of main function 18). Is it also possible to visualise the transition magnetic dipole density between two excited states?
Many thanks!

Offline

#2 2020-05-18 02:27:19

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,611
Website

Re: transition magnetic dipole moment between excited states

Currently Multiwfn is unable to calculate transition magnetic dipole moment between two excited states. If you really need this function, I will consider to implement this feature.

Offline

Board footer

Powered by FluxBB