A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

Analysis of electron wavefunction is a key component of quantum chemistry investigations and is indispensable for the practical research of many chemical problems. Through this article, readers will be able to fully understand the characteristics and recognize the unique value of Multiwfn.

⚡ This is an original paraphrased summary — not copied from the abstract. Full paper available at the source link below.

• 1 After more than ten years of active development, the wavefunction analysis program Multiwfn has accumulated very rich functions, and its application scope has covered numerous aspects of theoretical chemical research, including charge distribution, chemical bond, electron localization and delocalization, aromaticity, intramolecular and intermolecular interactions, electronic excitation, and response property.
• 2 This article systematically introduces the features and functions of the latest version of Multiwfn and provides many representative examples.
• 3 Through this article, readers will be able to fully understand the characteristics and recognize the unique value of Multiwfn.

This work deepens our understanding of the fundamental laws governing the universe, from subatomic particles to cosmic structures.

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