Table 5.
Diffusion coefficients with error estimates (unit of D=10−9 m2 s−1). Noticeable dependence on model parameters is seen only for L.
| Ni=1 | τ=4 Å | τ=6 Å | τ=8 Å |
|---|---|---|---|
| L=30 Å | 6.40(±0.26) | 6.28(±0.11) | 6.16(±0.12) |
| L=45 Å | 6.21(±0.08) | 6.20(±0.10) | 6.16(±0.14) |
| L=60 Å | 6.02(±0.06) | 6.02(±0.07) | 6.02(±0.04) |
| L=80 Å | 5.98(±0.02) | 5.98(±0.02) | 5.99(±0.03) |
| Ni=2 | τ=4 Å | τ=6 Å | τ=8 Å |
| L=30 Å | 6.32(±0.12) | 6.33(±0.24) | 6.23(±0.12) |
| L=45 Å | 6.16(±0.09) | 6.16(±0.10) | 6.15(±0.08) |
| L=60 Å | 6.02(±0.04) | 6.01(±0.05) | 6.01(±0.03) |
| L=80 Å | 5.96(±0.02) | 5.98(±0.02) | 5.98(±0.02) |
| Ni=3 | τ=4 Å | τ=6 Å | τ=8 Å |
| L=30 Å | 6.34(±0.17) | 6.29(±0.25) | 6.24(±0.15) |
| L=45 Å | 6.18(±0.11) | 6.19(±0.10) | 6.16(±0.07) |
| L=60 Å | 6.01(±0.03) | 6.00(±0.05) | 6.03(±0.07) |
| L=80 Å | 5.98(±0.02) | 6.00(±0.04) | 5.98(±0.03) |
| PME | 5.98(±0.05)(TO box with L=60 Å) | ||