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#1 2022-11-21 15:16:35

cy21d042
Member
Registered: 2022-11-21
Posts: 6

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.
Screenshot-from-2022-11-21-20-45-40.png

Screenshot-from-2022-11-21-20-45-05.png

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#2 2022-11-21 19:30:52

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

Re: Dipole moment

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

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