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超冷 O2 + O2 在磁场中的碰撞:关于势能面的作用。

Ultracold O2 + O2 collisions in a magnetic field: on the role of the potential energy surface.

机构信息

Instituto de Física Fundamental, Consejo Superior de Investigaciones Científicas (IFF-CSIC), Serrano 123, 28006 Madrid, Spain.

出版信息

J Chem Phys. 2011 Mar 28;134(12):124310. doi: 10.1063/1.3573968.

DOI:10.1063/1.3573968
PMID:21456665
Abstract

The collision dynamics of (17)O(2)((3)Σ(g)(-)) + (17)O(2)((3)Σ(g)(-)) in the presence of a magnetic field is studied within the close-coupling formalism in the range between 10 nK and 50 mK. A recent global ab initio potential energy surface (PES) is employed and its effect on the dynamics is analyzed and compared with previous calculations where an experimentally derived PES was used [T. V. Tscherbul et al., New J. Phys 134, 055021 (2009)]. Compared to the results using the older PES, magnetic-field dependence of the low-field-seeking state in the ultracold regime is characterized by a very large background scattering length, a(bg), and cross sections exhibit broader and more pronounced Feshbach resonances. The marked resonance structure is somewhat surprising considering the influence of inelastic scattering but it can be explained by resorting to the analytical van der Waals theory, where the short-range amplitude of the entrance channel wavefunction is enhanced by the large a(bg). This strong sensitivity to the short range of the ab initio PES persists up to relatively high energies (10 mK). After this study and despite quantitative predictions are very difficult, it can be concluded that the ratio between elastic and spin relaxation scattering is generally small, except for magnetic fields which are either low or close to an asymmetric Fano-type resonance. Some general trends found here, such as a large density of quasibound states and a propensity toward large scattering lengths, could be also characteristic of other anisotropic molecule-molecule systems.

摘要

在磁场存在的情况下,(17)O(2)((3)Σ(g)(-))+(17)O(2)((3)Σ(g)(-))的碰撞动力学在密耦形式理论范围内进行了研究,范围在 10 nK 到 50 mK 之间。采用了最近的全局从头算势能面(PES),并分析了其对动力学的影响,并与之前使用实验得出的 PES 的计算进行了比较[T. V. Tscherbul 等人,New J. Phys 134, 055021 (2009)]。与使用旧 PES 的结果相比,在超冷条件下,低磁场寻找态对磁场的依赖性表现出非常大的背景散射长度 a(bg),并且截面表现出更宽和更明显的 Feshbach 共振。考虑到非弹性散射的影响,标记的共振结构有些令人惊讶,但可以通过诉诸分析的范德瓦尔斯理论来解释,其中入口通道波函数的短程幅度被大的 a(bg)增强。这种对从头算 PES 的短程的强烈敏感性一直持续到相对较高的能量(10 mK)。经过这项研究,尽管定量预测非常困难,但可以得出结论,除了磁场较低或接近非对称 Fano 型共振的情况外,弹性和自旋弛豫散射之间的比值通常很小。这里发现的一些一般趋势,例如大量准束缚态和大散射长度的倾向,也可能是其他各向异性分子-分子系统的特征。

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