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首页> 外文期刊>The Journal of Chemical Physics >SELECTIVE EFFICIENCY OF VIBRATIONAL EXCITATIONS IN ION-MOLECULE COLLISIONS - A COMPARISON OF BEHAVIOR FOR H+-H-2 AND H--H-2
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SELECTIVE EFFICIENCY OF VIBRATIONAL EXCITATIONS IN ION-MOLECULE COLLISIONS - A COMPARISON OF BEHAVIOR FOR H+-H-2 AND H--H-2

机译:离子分子碰撞中振动激发的选择性效率-H + -H-2和H--H-2行为的比较

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摘要

The vibrational excitation processes which occur in molecular beam experiments on H-2 molecules, and using H+ or H- as projectiles, are discussed from the theoretical viewpoint of the microscopic quantum dynamics and in relation to the various features of the two potential energy surfaces. The present study employs the vibrational close-coupling-rotational infinite-order sudden (VCC-RIOS) decoupling scheme and analyzes in detail the differences of behavior of the various inelastic differential cross sections in the small-angle region. It is clearly found that two separate mechanisms can be invoked in the two systems to explain the differences in efficiency between the two excitation processes. Such mechanisms can be related in turn to specific features of the two potential energy surfaces and to their bearing on the final dynamical observables. Rather good agreement between calculated and observed cross sections is found for both systems. (C) 1995 American Institute of Physics. [References: 22]
机译:从微观量子动力学的理论观点以及两个势能面的各种特征出发,讨论了在分子束实验中对H-2分子进行的振动激发过程,并使用H +或H-作为射弹。本研究采用振动闭合耦合旋转无限阶突然解耦(VCC-RIOS)方案,并详细分析了小角度区域中各种非弹性微分截面的行为差异。清楚地发现,可以在两个系统中调用两个单独的机制来解释两个激励过程之间的效率差异。这样的机制可以依次与两个势能面的特定特征以及它们对最终动态观测值的影响有关。对于这两个系统,在计算出的横截面和观察到的横截面之间找到​​了相当好的一致性。 (C)1995年美国物理研究所。 [参考:22]

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