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首页> 外文期刊>Chemical Physics Letters >QUASICLASSICAL TRAJECTORY SIMULATIONS OF THE COLLISIONAL DEACTIVATION OF VIBRATIONALLY EXCITED HGBR(B-2-SIGMA, NU=52) BY N-2
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QUASICLASSICAL TRAJECTORY SIMULATIONS OF THE COLLISIONAL DEACTIVATION OF VIBRATIONALLY EXCITED HGBR(B-2-SIGMA, NU=52) BY N-2

机译:N-2对振动激发的HGBR(B-2-SIGMA,NU = 52)的碰撞钝化的准经典轨迹模拟

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摘要

The collisional relaxation of HgBr(B (2) Sigma, v = 52) by N-2 has been studied using quasiclassical trajectory calculations. The transition probabilities show a single Gaussian behaviour. The results are analysed according to the complexity of the collision, determined by the number of turning points during the encounter. The transition probabilities for direct collisions can be fit to a single exponential, while complex collisions are represented by Gaussian functions. The vibration of N-2 is adiabatic during the energy transfer process but a significant fraction of the excitation energy is absorbed as rotational energy. Supercollisions do not seem to play any significant role in the relaxation process. (C) 1997 Elsevier Science B.V. [References: 12]
机译:使用准经典轨迹计算研究了N-2对HgBr(B(2)Sigma,v = 52)的碰撞弛豫。转移概率显示单个高斯行为。根据碰撞的复杂程度来分析结果,碰撞的复杂程度由相遇期间的转折点数确定。直接碰撞的过渡概率可以适合单个指数,而复杂碰撞则由高斯函数表示。 N-2的振动在能量传递过程中是绝热的,但是很大一部分激发能被吸收为旋转能。超级碰撞在松弛过程中似乎没有发挥任何重要作用。 (C)1997 Elsevier Science B.V. [参考:12]

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