Table 4.
Diffusion coefficients with error estimates (unit of D=10−9 m2 s−1). Without reaction field correction, our method substantially overestimates the mobility of water molecules.
Ni=0 | τ=2 Å | τ=4 Å | τ=6 Å |
---|---|---|---|
L=45 Å | 6.69(±0.07) | 6.81(±0.33) | 7.04(±0.27) |
L=60 Å | 6.37(±0.04) | 6.39(±0.10) | 6.41(±0.12) |