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    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

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    #1 Re: Multiwfn and wavefunction analysis visualize transition dipole moments 2023-03-08 14:04:43

    Dear Tian Lu,

    thank you for the reply. I undestand that the x,y,z components of TDM are already in the program outputs, still it needs some work to draw them e.g. in GaussView. I think it would be a very useful feature to add in your software.

    Best regards

    #2 Multiwfn and wavefunction analysis visualize transition dipole moments 2023-03-07 17:00:38

    ripes
    Replies: 2

    Hi everybody,

    I am new to the forum though I have been using this fantastic software for some time now.
    I wonder if there is an option, which I couldn't find, to visualize transition dipole moments (electric and magnetic).
    I am interested in Gaussian and Orca calcualtions, although I know there are troubles with Orca TD outputs.

    Thank you for your aattention

    Rino Pescitelli

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