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. 2021 Feb 19;12(8):2057–2063. doi: 10.1021/acs.jpclett.0c03579

Figure 3.

Figure 3

3D representation of the probability density of the exciton wave function in real space (depicted as green isosurfaces), showing 95% of the maximum isovalue. The position of the hole is fixed on a Bi ion, and the circles represent the average electron–hole separation as computed from first-principles (red) and the Wannier–Mott model (blue). The silver spheres are Cs.