基于多原子化学反应动力学的化学激光器

José Daniel Sierra Murillo
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引用次数: 0

摘要

采用大样本得到了OH (vOH = 0;jOH = 2) + D2 (vD2 = 0;jD2)气相反应初始条件。在Wu-Schatz-Lendvay-Fang-Harding势能面上采用准经典轨迹计算和高斯宾化方法。正如作者在之前的作品中已经观察到的那样,根据第一选择,振动-高斯宾宁,第二选择,旋转-高斯宾宁,它诱导了对HOD产物分子总角动量的奇数或偶数值的可变偏好。旋转水平的增加,D2 (v = 0;j),引起分布P(j′)的轻微位移,向更高的j′值移动,而不是增加振动水平D2 (v);j = 2)。然而,P(j ')在这些分布中引起了更多的各向异性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Chemical laser based on polyatomic chemical reaction dynamics
Large samples have been employed to obtain energy state distributions in products (translational, vibrational and rotational) for the OH (vOH = 0; jOH = 2) + D2 (vD2 = 0; jD2) gas phase reaction initial conditions. It uses Quasi-Classical Trajectory calculations and the Gaussian Binning methodology on Wu-Schatz-Lendvay-Fang-Harding potential energy surface. As the author has already observed in a previous works, depending on a first selection, Vibrational-Gaussian Binning, a second selection, Rotational-Gaussian Binning, it induces a variable preference for odd or even values in the Total Angular Momentum of the HOD product molecule. The increase of the rotational level, D2 (v = 0; j), induces a minor displacement of the distributions, P(J'), towards higher values of J' than when it increases the vibrational level, D2 (v ; j = 2). Nevertheless, causes more anisotropy in those distributions, P(J').
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