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#1 2018-02-13 19:15:51
Analysis of valence electron density
My new paper "Revealing Molecular Electronic Structure via Analysis of Valence Electron Density" now is published, see http://www.whxb.pku.edu.cn/article/2018 … 0505.shtml. In this paper, using numerous examples, the usefulness and powerfulness of valence electron density analysis are substantially demonstrated. This analysis is also compared with the popular ELF, deformation density and Laplacian analyses.
Any kind of valence electron density analysis can be easily done via Multiwfn, including plotting it as map, topology analysis, basin analysis and so on. The way of plotting valence electron density map is mentioned in Section 4.6.2 of Multiwfn manual.
Hoping that valence electron density analysis will be become a popular tool for studying electronic structure problems!
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