FIGURE 3.
Energy resolution and timescale-dependence of 〈Δr2〉. (Solid lines) 〈Δr2〉Sim calculated from molecular dynamics trajectories using Eq. 14 with t = 20, 50, 100, and 200 ps. (Symbols) 〈Δr2〉FW calculated using Eq. 15 with the instrumental energy resolution, Δω, set to 1/20, 1/50, 1/100, and 1/200 ps−1. (Inset) The fast component, 〈Δr2〉fast of 〈Δr2〉FW (dots) and 〈Δr2〉A0 (diamonds). The dashed line represents a linear fit to the temperature range 100–180 K.