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. 2023 May 22;19(20):6933–6991. doi: 10.1021/acs.jctc.3c00182

Figure 24.

Figure 24

Electronic absorption cross section spectrum σabs(E) of HgBrOOH reconstructed from 200 geometries using a unique empirical bandwidth of δ = 0.05 eV for all transition (orange line) and GMM-NEA (black line). The shaded areas represent the 95% confidence intervals. The inset details the contribution of both spectra in the region overlapping with the solar radiation (not shown).