TABLE III.
Parameters of the linear regression fits displayed in Fig. 4. The slope corresponds to the average relative interaction energy error per valence electron (VE), and the y-intercept corresponds to the average relative interaction energy error in the limit of zero VEs. Reprinted with permission from Nguyen et al., J. Chem. Theory Comput. 16, 2258–2273 (2020). Copyright 2020 American Chemical Society.
| Method | Slope (%/VE) | y-intercept (%) |
|---|---|---|
| MP2 | 0.1219 | 7.30 |
| SCS-MP2 | 0.0251 | 14.10 |
| RPA(PBE) | 0.0030 | 6.24 |
| PBE-D3 | 0.0083 | 6.79 |