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首页> 外文期刊>The Journal of Chemical Physics >Cold and ultracold NH-NH collisions: The field-free case
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Cold and ultracold NH-NH collisions: The field-free case

机译:冷和超冷NH-NH碰撞:无场情况

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摘要

We present elastic and inelastic spin-changing cross sections for cold and ultracold NH(X 3-) + NH(X 3-) collisions, obtained from full quantum scattering calculations on an accurate ab initio quintet potential-energy surface. Although we consider only collisions in zero field, we focus on the cross sections relevant for magnetic trapping experiments. It is shown that evaporative cooling of both fermionic 14NH and bosonic 15NH is likely to be successful for hyperfine states that allow s-wave collisions. The calculated cross sections are very sensitive to the details of the interaction potential, due to the presence of (quasi)bound state resonances. The remaining inaccuracy of the ab initio potential-energy surface therefore gives rise to an uncertainty in the numerical cross-section values. However, based on a sampling of the uncertainty range of the ab initio calculations, we conclude that the exact potential is likely to be such that the elastic-to-inelastic cross-section ratio is sufficiently large to achieve efficient evaporative cooling. This likelihood is only weakly dependent on the size of the channel basis set used in the scattering calculations.
机译:我们介绍了冷和超冷NH(X 3-)+ NH(X 3-)碰撞的弹性和非弹性自旋变化截面,这些截面是通过在准确的从头开始的五重态势能表面上进行全量子散射计算而获得的。尽管我们仅考虑零场中的碰撞,但我们专注于与磁阱实验相关的横截面。结果表明,对于允许s波碰撞的超精细状态,铁离子14NH和硼酸15NH的蒸发冷却都可能成功。由于存在(准)束缚态共振,所计算的截面对相互作用势的细节非常敏感。因此,从头算势能面的剩余误差会导致数值横截面值的不确定性。但是,根据从头算的不确定性范围的样本,我们得出结论,确切的电势可能是这样的:弹性与非弹性的横截面比足够大,可以实现有效的蒸发冷却。这种可能性仅微弱地取决于散射计算中使用的信道基础集的大小。

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