Table 2. Fitting results between IAM electron scattering and ab initio calculated at the target geometry R targ at different s-ranges.
s min is shown in the first column and s max in the second, and the data correspond to the bar charts in Figs. 6 ▸ ▸–8 ▸. The target function, ζsignal, is described in equation (4), and the mean absolute percent deviation (MAPD) is given by equation (6).
| s min (Å−1) | s max (Å−1) | ζsignal | MAPD (%) |
|---|---|---|---|
| CHF3 | |||
| 0 | 4 | 9.3 × 10−3 | 5.8 |
| 0 | 8 | 2.5 × 10−2 | 2.3 |
| 0 | 24 | 1.5 × 10−2 | 0.3 |
| 8 | 24 | 5.1 × 10−4 | 0.5 |
| CHD | |||
| 0 | 4 | 2.8 × 10−1 | 6.0 |
| 0 | 8 | 3.0 × 10−1 | 3.0 |
| 0 | 24 | 1.3 × 10−1 | 0.8 |
| 8 | 24 | 1.9 × 10−3 | 0.4 |
| Naphthalene | |||
| 0 | 4 | 4.2 × 10−1 | 4.0 |
| 0 | 8 | 3.9 × 10−1 | 2.1 |
| 0 | 24 | 1.7 × 10−1 | 0.3 |
| 8 | 24 | 3.2 × 10−3 | 0.2 |