Implementation of new aromaticity indices, including HOMAc and HOMER . Installation Notes Multiwfn is available for Windows, Linux, and macOS.
The official site provides MD5 or SHA256 sums for each file. After downloading, compute the hash:
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Place the folder in a directory with a simple path (avoid spaces in folder names if possible).
New variants of the Independent Gradient Model (IGM) for studying weak interactions in static and fluctuating environments (e.g., molecular dynamics). Aromaticity Indices: Support for HOMAc and HOMER indices. After downloading, compute the hash: This public link
What specific (e.g., QTAIM, NCI, partial charges) are you trying to run?
Multiwfn is a premier, open-source wavefunction analysis program widely used in computational chemistry. Developed by Dr. Tian Lu, this multifunctional software allows researchers to extract vast amounts of chemical insight from the electronic wavefunctions generated by quantum chemistry software like Gaussian, ORCA, Q-Chem, and multi-purpose packages. Can’t copy the link right now
To check if Multiwfn 3.8 is running correctly, execute a fast test run using a sample file: Launch Multiwfn from your terminal or command prompt.
Plot molecular orbitals, natural bond orbitals (NBOs), and total electron density.
: Multiwfn_2026.4.10_bin_Win64.rar (Recommended for new users for stability and GUI ease).