Related materials
- Youtube channel of Multiwfn: This channel contains many illustration videos of Multiwfn
- Multiwfn的Bilibili频道:包含演示一些Multiwfn操作的简短视频,内容和Youtube频道基本相同
- Multiwfn quick start: This document can be found in Multiwfn binary package. Reading this is the best and fastest way to understand how to use Multiwfn for practical problem research.
- Multiwfn online manual. It was directly converted from pdf version of manual, please wait patiently while loading. I DO NOT suggest reading it, because it may be much older than pdf version in "Download" page, which is updated quite frequently.
- Slideshow "Modifying source code of Multiwfn" (57p, last updated on 2022-Jun-26): link. This is very useful if you hope to extend capability of Multiwfn
- Slideshow "A brief introduction to Multiwfn and wavefunction analysis" (370p, last updated on 2019-Jun-30, in Chinese, very suitable for beginners!): brief_intro.pdf
- Document "Tutorial of using Multiwfn to perform IRI analysis": link. It detailedly describes how to use Multiwfn to realize various kinds of analysis of interaction region indicator (IRI) proposed by Tian Lu.
- Document "Tutorial of using Multiwfn to perform IGMH analysis": link. It detailedly describes how to use Multiwfn to perform independent gradient model based on Hirshfeld partition (IGMH) analysis proposed by Tian Lu.
- Document "Calculating information-theoretic quantities and some relevant quantities by Multiwfn": link. It detailedly describes how to use Multiwfn to realize information-theoretic analysis (ITA) proposed by Shubin Liu group.
- Slideshow "Predicting reactive sites" (50p) Predicting reactive sites_EN.pdf
- Tutorial "Drawing ELF isosurfaces with different colors for different domains" (ELF_Chimera.pdf) Note: This material is out-of-date, a much better way is following this video illustration: https://youtu.be/vC48iEB8PwI.
- Tutorial "Studying the variation of electronic structure along the IRC path of DA adduction" (in English), in which I showed how to plot Mayer bond order curve and make animation of ELF isosurface to illustrate the variation of electronic structure in Diels-Alter reaction. The pdf file of this tutorial and related files can be download here: IRCtutorial.rar
- Paper "A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon" (ChemRxiv, DOI: 10.26434/chemrxiv.11320130). This work heavily employed Multiwfn in the analyses and sufficiently demonstrated the power of Multiwfn. This article can be regarded as a nice template of using Multiwfn in studying novel chemical systems. The content of this work has then been greatly extended and finally published as a series of individual papers: Carbon, 165, 468 (2020) DOI: 10.1016/j.carbon.2020.04.099, Carbon, 165, 461 (2020) DOI: 10.1016/j.carbon.2020.05.023, Carbon, 171, 514 (2021) DOI: 10.1016/j.carbon.2020.09.048, Chem. Asian J., 16, 56 (2021) DOI: 10.1002/asia.202001228
- Paper "Ultrastrong regulation effect of electric field on all-carboatomic ring, cyclo[18]carbon" (ChemPhysChem, 22, 386 (2021) DOI: 10.1002/cphc.202000903). This article is a good example of using Multiwfn to study influence of external electric fields on various aspects of chemical systems.
- Multiwfn_logo.png, high resolution logo of Multiwfn (1720px)
- Multiwfn_poster.jpg, presented at the 28th CCS congress (2012, Apr, 13-16)
Related blog articles
Below articles were written by Multiwfn developer Dr. Tian Lu in Chinese and published in his blog. The contents are updated frequently. The links are permanent and thus suited to be cited in publications. Most content in below articles can also be found in Multiwfn English manual.
Related tools
If you have developed any tools related to Multiwfn, please send related information to developer E-mail sobereva[at]sina.com, your tool will then be listed here, so that more people have change to access it!