Multiwfn forum

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!

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,768

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.