Table 8.
Models | Average Difference (%) | Average Absolute Error (%) | ||||
---|---|---|---|---|---|---|
(AE - As)/AE | (AE - Am)/AE | (Am -As)/Am | |AE - As|/AE | |AE - Am|/AE | |Am - As|/Am | |
AL | 0.42 | 0.85 | −0.44 | 1.66 | 1.55 | 0.56 |
AE | 1.04 | 0.32 | 0.73 | 1.66 | 1.19 | 0.78 |
Exp_USF | 4.13 | 0.43 | 3.70 | 4.19 | 2.02 | 3.70 |
Exp_VSF | 4.67 | −0.34 | 4.97 | 4.88 | 2.26 | 4.97 |
USF-pGM | 2.73 | 0.39 | 2.33 | 3.05 | 2.20 | 2.48 |
VSF-pGM | 3.32 | 0.09 | 3.20 | 3.54 | 2.35 | 3.20 |
VSF-pGM2 | 1.15 | −2.26 | 3.31 | 2.28 | 2.84 | 3.31 |
USF-Linear | 2.31 | 0.32 | 1.97 | 2.90 | 2.27 | 2.36 |
VSF-Linear | 3.25 | 1.32 | 1.92 | 3.51 | 2.52 | 2.16 |
USF-Amoeba | 2.46 | 0.33 | 2.11 | 2.99 | 2.33 | 2.39 |
VSF-Amoeba | 2.18 | −0.02 | 2.17 | 2.57 | 2.18 | 2.29 |
AE: experimental polarizability
Am: calculated average polarizability without inter-molecule polarization.
As: calculated average polarizability in liquid-phase with inter-molecule polarization.