ClH(upsilon',j')+Cl reaction are analyzed using Regge pole and complex angular momentum (CAM) techniques. This is the '/> COMPLEX ANGULAR MOMENTUM ANALYSIS OF RESONANCE SCATTERING IN THE CL+HCL-]CLH+CL REACTION
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首页> 外文期刊>The Journal of Chemical Physics >COMPLEX ANGULAR MOMENTUM ANALYSIS OF RESONANCE SCATTERING IN THE CL+HCL-]CLH+CL REACTION
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COMPLEX ANGULAR MOMENTUM ANALYSIS OF RESONANCE SCATTERING IN THE CL+HCL-]CLH+CL REACTION

机译：CL + HCL-] CLH + CL反应中共振散射的复角动量分析

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Resonance effects in the differential cross sections of the Cl+HCl(upsilon',j)-->ClH(upsilon',j')+Cl reaction are analyzed using Regge pole and complex angular momentum (CAM) techniques. This is the first detailed application of CAM theory to reactive molecular scattering. The rovibrational transitions studied are upsilon-1, j=5-->upsilon'=0, j'=15, and upsilon=1, j=5-->upsilon'=1, j'=5 at total energies E=0.66, 0.68, 0.70 eV. The CAM theory expresses the scattering amplitude as a background subamplitude plus a pole subamplitude. The uniform (and nonuniform) semiclassical evaluation of the background subamplitude is discussed. It is necessary to include explicitly the resonance Regge pole in the semiclassical theory because it has a small imaginary part. We derive a new generic semiclassical formula, involving the complementary error function for the resonance angular scattering. The position and residue of the resonance Regge pole at each E are extracted numerically from scattering matrix elements calculated by the centrifugal sudden hyperspherical (CSH) quantum scattering method. There is good agreement between the semiclassical CAM and CSH angular distributions. However, the latter involve summing a partial wave (PW) series with a large number of numerically significant terms-as a result the PW computations provide no physical insight. We also show that a simple semiclassical optical model becomes inaccurate when the rotational period of the ClHCl complex is comparable to the resonance lifetime. We derive a new ''sticky'' optical model which allows for rotation of the complex, All our calculations use the Bondi-Connor-Manz-Romelt semiempirical potential energy surface. (C) 1995 American Institute of Physics. [References: 73]
机译：利用Regge极点和复角动量（CAM）技术分析了Cl + HCl（upsilon'，j）-> ClH（upsilon'，j'）+ Cl反应的微分截面中的共振效应。这是CAM理论在反应性分子散射中的首次详细应用。在总能量E =时，研究的旋转振动跃迁为upsilon-1，j = 5-> upsilon'= 0，j'= 15，upsilon = 1，j = 5-> upsilon'= 1，j'= 5 0.66、0.68、0.70 eV。 CAM理论将散射幅度表示为背景亚幅度加极子幅度。讨论了背景亚振幅的统一（和非统一）半经典评估。有必要在半经典理论中明确包含共振Regge极，因为它的虚部很小。我们推导了一个新的通用半经典公式，其中涉及共振角散射的互补误差函数。从通过离心突然超球面（C​​SH）量子散射方法计算的散射矩阵元素中，数值提取每个E处的Regge共振极的位置和残差。半经典CAM和CSH角分布之间有很好的一致性。但是，后者涉及对具有大量数字有效项的部分波（PW）系列求和-结果，PW计算无法提供物理洞察力。我们还表明，当ClHCl络合物的旋转周期与共振寿命相当时，简单的半经典光学模型变得不准确。我们导出了一个新的“粘性”光学模型，该模型可以使复合物旋转。我们所有的计算均使用Bondi-Connor-Manz-Romelt半经验势能面。 （C）1995年美国物理研究所。 [参考：73]

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