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首页> 外文期刊>Journal of the American Chemical Society >Quantum interference as the source of steric asymmetry and parity propensity rules in NO-rare gas inelastic scattering - art. no. JA057828B
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Quantum interference as the source of steric asymmetry and parity propensity rules in NO-rare gas inelastic scattering - art. no. JA057828B

机译:NO稀有气体非弹性散射中作为空间不对称和奇偶性倾向规则来源的量子干涉-艺术。没有。 JA057828B

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摘要

Rotationally inelastic scattering of rare gas atoms and oriented NO molecules exhibits a remarkable alternation in the sign of steric asymmetry between even and odd changes in rotational quantum number. This effect has also been found in full quantum-mechanical scattering calculations. However, until now no physical picture has been given for the alternation. In this work, a newly developed quasi-quantum treatment (QQT) provides the first demonstration that quantum interferences between different orientations of the repulsive potential ( that are present in the oriented wave function) are the source of this alternation. Further, from application of the treatment to collisions of nonoriented molecules, a previously unrecognized propensity rule is derived. The angular dependence of the cross sections for excitation to neighboring rotational states with the same parity is shown to be similar, except for a prefactor. Experimental results are presented to support this rule. Unlike conventional quantum-mechanical (or semiclassical) treatments, QQT requires no summation over the orbital angular momentum quantum number l or integration over the impact parameter b. This eliminates the need to solve large sets of coupled differential equations that couple l and rotational state channels among which interference can occur. The QQT provides a physical interpretation of the scattering amplitude that can be represented by a Legendre moment. Application of the QQT on a simple hard-shell potential leads to near-quantitative agreement with experimental observations.
机译:稀有气体原子和取向的NO分子的旋转非弹性散射在旋转量子数的偶数和奇数变化之间表现出明显的空间不对称性交替。在完整的量子力学散射计算中也发现了这种效应。但是,到目前为止,尚未提供有关替代的物理图片。在这项工作中,新开发的准量子处理(QQT)提供了第一个证明,即排斥势的不同方向(存在于定向波函数中)之间的量子干扰是这种交替的来源。此外,通过将处理应用于非定向分子的碰撞,可以得出先前无法识别的倾向性规则。除了预因子之外,横截面的角度激励对具有相同奇偶校验的相邻旋转状态的相似性显示为相似。提出实验结果以支持该规则。与常规的量子力学(或半经典的)处理不同,QQT不需要对轨道角动量量子数l求和,也不需要碰撞参数b的积分。这消除了解决大量耦合微分方程组的需要,这些耦合微分方程组将l和旋转状态通道耦合,其中可能会发生干扰。 QQT提供了散射幅度的物理解释,可以用勒让德矩来表示。 QQT在简单的硬壳电势上的应用导致与实验观察结果接近定量的一致性。

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