Improved Potential Energy Surface of Ozone Constructed Using the Fitting by Permutationally Invariant Polynomial Function
Figure 4
Three critical regions of new PES of ozone: (a) at the bottom of the covalent well, (b) near the top of the reef, (c) along the vdW well. The MEP is shown as blue line. Filled symbols show the data points; pluses show the values of the fit at these points. Deviations are small. Green color is used for points added to the fitting set a posteriori.
