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Direct Calculation Method for Excited-state Diffusion-influenced Reversible Reactions with an External Field

机译:外场激发态扩散影响的可逆反应的直接计算方法

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摘要

The direct calculation method is generalized to the excited-state diffusion-influenced reversible reaction of a neutral and a charged particle under an external field with two different lifetimes and quenching in three dimensions. The present method provides an alternative way to calculate the binding probability density functions and the survival probabilities from the corresponding irreversible results. The solutions are obtained as the series solutions by the diagonal approximation due to the anisotropy of the unidirectional external field. The numerical results are found to be in good agreement with those of the previous study [S. Y. Reigh et al. J. Chem. Phys. 132,164112 (2010)] within a weak field limit. The solutions of two approaches show qualitatively the same overall behavior including the power laws at long times.
机译:直接计算方法被推广到中性粒子和带电粒子在具有两个不同寿命和在三个维度上淬火的外场下的受激发态扩散影响的可逆反应。本方法提供了从相应的不可逆结果计算结合概率密度函数和存活概率的替代方法。由于单向外场的各向异性,通过对角线近似将这些解作为级数解获得。发现数值结果与先前的研究[S. Y.Reigh等。 J.化学物理132,164112(2010)]。两种方法的解决方案在质量上都表现出相同的总体行为,包括长时间的幂定律。

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