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    Multiwfn official website: http://www.shanxitv.org/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

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    #1 Multiwfn and wavefunction analysis Electrostatic Potential Calculation using Multiwfn 2024-03-08 10:46:38

    Abhishek
    Replies: 1

    Is there any reference from where I can access the code used in Multiwfn to compute the electrostatic potential (ESP)?
    If yes, can I get access to the codes or the algorithm used in the code.

    #2 Multiwfn and wavefunction analysis calculating the electrostatic potential using multiwfn in 3D space. 2023-12-17 07:41:58

    Abhishek
    Replies: 1

    How to calculate the electron density distribution for each Molecular orbitals of dianion Oxygen atom using B3LYP in Gaussian03 and multiwfn?
    I ultimately need to calculate the electrostatic potential between the monoanion oxygen and the electron present at certain "r" distance. I need the quantitative values and a 3d plot of the potential generated as "r" changes in the 3D space.

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