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Liquid water (32 water in a periodic cubic box with side length of 9.862 Å) radial distribution function for (a) oxygen-oxygen, (b) oxygen-hydrogen, and (c) hydrogen-hydrogen. “ZRC” is for the algorithm using zero charge for every atom at every step; “DXL” for 5th order DXL-BOMD algorithm. In each panel, the upper right legend shows SCF convergence criteria. In addition, the experimental data from Soper et al. (Ref. 53) is also plotted for comparison.
