The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
Multiwfn: A multifunctional wavefunction analyzer
Abstract
Multiwfn is a multifunctional program for wavefunction analysis. Its main functions are: (1) Calculating and visualizing real space function, such as electrostatic potential and electron localization function at point, in a line, in a plane or in a spatial scope. (2) Population analysis. (3) Bond order analysis. (4) Orbital composition analysis. (5) Plot density‐of‐states and spectrum. (6) Topology analysis for electron density. Some other useful utilities involved in quantum chemistry studies are also provided. The built‐in graph module enables the results of wavefunction analysis to be plotted directly or exported to high‐quality graphic file. The program interface is very user‐friendly and suitable for both research and teaching purpose. The code of Multiwfn is substantially optimized and parallelized. Its efficiency is demonstrated to be significantly higher than related programs with the same functions. Five practical examples involving a wide variety of systems and analysis methods are given to illustrate the usefulness of Multiwfn. The program is free of charge and open‐source. Its precompiled file and source codes are available from http://multiwfn.codeplex.com. © 2011 Wiley Periodicals, Inc. J Comput Chem, 2011
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Cites
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Liu, Z., Lu, T., & Chen, Q. (2020) · Carbon · doi:10.1016/j.carbon.2020.04.099 · Cited by 429
Self-citationShah, A. H., Zhang, Z., Huang, Z., Wang, S., Zhong, G., Wan, C., Alexandrova, A. N., Huang, Y., & Duan, X. (2022) · Nature Catalysis · doi:10.1038/s41929-022-00851-x · Cited by 373
Wang, Z., Sun, Z., Shi, Y., Qi, F., Gao, X., Yang, H., Cheng, H., & Li, F. (2021) · Advanced Energy Materials · doi:10.1002/aenm.202100935 · Cited by 202
Wang, J.-W., Jiang, L., Huang, H.-H., Han, Z., & Ouyang, G. (2021) · Nature Communications · doi:10.1038/s41467-021-24647-y · Cited by 164
Metadata
- Authors
- Lu, T., & Chen, F.
- Venue
- Journal of Computational Chemistry
- Publisher
- Wiley
- Published
- 2011-12-08
- Volume
- 33
- Issue
- 5
- Pages
- 580-592
- ISSN
- 0192-8651 (ISSN-L)
- 1096-987X
- OpenAlex
- W2132525235
- Cited by
- 45,371
- References
- 4
- FWCI
- 71.77
- Type
- journal article
- Language
- en
- Open access
- closed
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