Comparative study of rare gas-H2 triatomic complexes
Comparative study of rare gas-H2 triatomic complexes
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DOI：
10.1140/epjd/e2009-00058-0
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发表时间：
2008-05
期刊：
影响因子：
--
通讯作者：
P. Barletta
中科院分区：
文献类型：
--
作者：
P. Barletta
本文介绍了一个稀有气体（Rg）原子和分子氢的配合物的比较分析，对于五个不同的Rg原子。特别是，振动带的起源已经计算，以及相关的波函数的结构特性。这项研究扩展到超冷Rg-H2碰撞，最近的一项旨在产生超冷H2的实验[1]。分子系统的研究变分使用一个简单的，但有效的，各向同性的试探波函数。大量的势能面可从文献中被认为是。比较分析表明，五个复合物的零能弹性截面存在两个数量级的差异。还考虑了对各向同性模型的修正，结果表明没有显著影响。
This paper presents a comparative analysis of complexes made of one rare gas (Rg) atom and molecular hydrogen, for five different Rg atoms. In particular, the vibrational band origins have been calculated, as well as the structural properties of the associated wavefunctions. The study is extended to ultra-cold Rg–H2collisions, object of a recent experiment aimed at producing ultra-cold H2[1]. The molecular systems are studied variationally using a simple, yet effective, isotropic trial wavefunction. A large number of potential energy surfaces available from the literature is considered. A comparative analysis shows that differences of up to two orders of magnitude exist for the zero-energy elastic cross sections of the five complexes. Corrections to the isotropic model have also been considered, showing no significant effect.