Improved Potential Energy Surface of Ozone Constructed Using the Fitting by Permutationally Invariant Polynomial Function
Figure 2
Improvement of the RMS deviation of the fit during the preoptimization procedure carried out using the old surface of ozone: (a) during the first 200 iterations (note the exponential scale), (b) during the 5,000 iterations, when the set of 500 fitting points is reoptimized 10 times. The gradual loss of memory of the initial placement of points is clearly seen.
