Fig. 5: Density of liquid water. | Nature Communications

Fig. 5: Density of liquid water.

From: Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism

Fig. 5

Temperature-dependence of the density of liquid water at 1 atm calculated from classical NPT simulations carried out with MB-SCAN(DC) along with the results from SCAN-AIMD43, SCAN-NNP92, and SCAN0-NNP (with 10% HF exchange)52 simulations. The MB-pol results are from ref. 78, while the experimental data are from the NIST Chemistry WebBook124. Error bars for the MB-SCAN(DC) results represent 95% confidence intervals.

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