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A scattering theoretical examination of the statistical theory of chemical reactions: Competition between direct and resonance scatterings

机译:化学反应统计理论的散射理论检验:直接散射与共振散射之间的竞争

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摘要

On the basis of the formal scattering theory, the reaction probability of the chemical reaction of the complex-formation mode is derived. The probability is expressed as the sum of the contributions from the direct and resonance scatterings. The contribution from the latter is shown to coincide with the reaction probability predicted by the conventional statistical theory of chemical reactions. The balance between the direct and resonance scatterings is governed by the parameter of the overlapping resonance, 4πργ, where γ is the average partial width and ρ is the density of resonance states. It is shown that the prediction of the statistical theory is realized when the condition of the critical overlap of resonances, 4πργ = 1, is fulfilled. The setup and conclusion of the formal theory are illustrated by a numerical example of a simple model.
机译:根据形式散射理论,推导了复合物形成模式化学反应的反应概率。概率表示为直接散射和共振散射贡献的总和。后者的贡献显示出与化学反应的常规统计理论所预测的反应概率一致。直接散射和共振散射之间的平衡由重叠共振的参数4πργ决定,其中γ是平均局部宽度,而ρ是共振态的密度。结果表明,当满足共振的临界重叠4πργ= 1时,就可以实现统计理论的预测。形式理论的建立和结论通过一个简单模型的数值示例进行说明。

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