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. 2020 Jun 10;120(16):8066–8129. doi: 10.1021/acs.chemrev.0c00004

Figure 10.

Figure 10

Illustration of the concept of featurization using symmetry functions. There are atom centered local environments that we can represent with abstract kets |χ⟩, expressed in the basis of Cartesian coordinates ⟨r|. The figure is a modified version of an illustration from Ceriotti and co-workers.200