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Dear Prof Tian Lu
Regarding to Electron density we are used to visualize them for a molecule, I would like to ask you how can I instead obtain a molecular descriptors to quantify the electron density, clearly I think that the total electron density cannot be quantified, but maybe in specific regions like HOMO and LUMO, yes.
Probably I miss to see the example in MULTIWFN.
Thank you for your work !!
Alessio
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Dear Alessio,
I think what you need to do is population analysis, by which you can quantify amount of electrons on atomic orbitals, shells, atoms, fragments and so on. See Section 4.7.0 of Multiwfn manual for example.
Best,
Tian
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Dear Professor Tian Lu,
Thank you so much
I will check in that section.
Best
Alessio
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