Table 2. Model Prediction Errors for Reference DFT Properties.
training set | test set | |
---|---|---|
valence width, s (a0) | 0.003 | 0.003 |
charge, q (e) | 0.02 | 0.02 |
polarizability, αmol (a03) | 2.98 | 2.96 |
training set | test set | |
---|---|---|
valence width, s (a0) | 0.003 | 0.003 |
charge, q (e) | 0.02 | 0.02 |
polarizability, αmol (a03) | 2.98 | 2.96 |