• Multiwfn forum

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

    You are not logged in.

    #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

    Offline

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

    sobereva
    Tian Lu (Multiwfn developer)
    From: Beijing
    Registered: 2017-09-11
    Posts: 1,468
    Website

    Re: Dipole moment

    I have already replied in another post: http://www.shanxitv.org/wfnbbs/viewtopic.php?id=741

    Offline

    Board footer

    Powered by FluxBB

    久久精品国产99久久香蕉