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Note that at Δε/〈V〉, 2 calculations for disordered D-B-A systems are time-consuming and become impractical at larger Δε/〈V〉 values. This can be easily understood since to obtain reliable data on the effect of disorder on the CT kinetics, computer simulations should be performed within the time window in which the survival probability, P(t, drops at least by one order of magnitude. Furthermore, the duration of calculations strongly increases with the width, Δt, of this window, which, in turn, rapidly increases with the falloff parameter β and, hence, with Δε/〈V〉, Δε/ V (see Figure 4, As a consequence, for Δε/〈V〉 the width Δt becomes so large that our computational facilities do not allow us to calculate the time dependence P(t) for reasonable time. That is why up to now we can simulate the decay transients for the D-B-A systems with torsional disorder only in the case wher
-
Note that at Δε/〈V〉 = 2 calculations for disordered D-B-A systems are time-consuming and become impractical at larger Δε/〈V〉 values. This can be easily understood since to obtain reliable data on the effect of disorder on the CT kinetics, computer simulations should be performed within the time window in which the survival probability, P(t), drops at least by one order of magnitude. Furthermore, the duration of calculations strongly increases with the width, Δt, of this window, which, in turn, rapidly increases with the falloff parameter β and, hence, with Δε/〈V〉 = Δε/ V (see Figure 4). As a consequence, for Δε/〈V〉 the width Δt becomes so large that our computational facilities do not allow us to calculate the time dependence P(t) for reasonable time. That is why up to now we can simulate the decay transients for the D-B-A systems with torsional disorder only in the case where Δε/〈V〉 does not exceed two (see examples on Figures 5 and 6), while for ordered systems numerical results are available for larger values Δε/〈V〉 = Δε/V (see Figures 2 and 3).
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