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#1 2024-03-20 09:55:55

Protsan
Member
Registered: 2024-03-20
Posts: 1

How to obtain electron density, laplacian density etc between atoms

Is it possible to obtain all topological parameter of qtaims in multiwfn for ecah bond  critical points?

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#2 2024-03-20 23:24:55

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,624
Website

Re: How to obtain electron density, laplacian density etc between atoms

In topology analysis module, after searching critical points, use option 7 to obtain various properties for specific or all critical points. See example of AIM topology analysis in Section 4.2.1 of Multiwfn manual.

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