Multiwfn forum

cy21d042

Member

Registered: 2022-11-21

Posts: 9

Dipole moment

How do we know about the transition dipole moment of any excited state? I am confused between the results obtained from Gaussian TD-DFT calculation and Multiwfn results. I am attaching the screenshot of both the obtained dipole moment.

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,773

Website

Re: Dipole moment

I have already replied in another post://www.umsyar.com/wfnbbs/viewtopic.php?id=741