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首页> 外文期刊>The Journal of Chemical Physics >Translational cooling versus vibrational quenching in ultracoldOH--Rb collisions: A quantum assessment
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Translational cooling versus vibrational quenching in ultracoldOH--Rb collisions: A quantum assessment

机译:超冷OH-Rb碰撞中的平移冷却与振动淬灭:量子评估

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A new three-dimensional potential energy surface (PES), which describes the interaction betweenthe OH-(X~1Σ~+) molecule and the Rb(~2S) atomic gas has been obtained by using a highlycorrelated ab initio model of the electronic structure and a large atomic basis set supplemented witha set of midbond Gaussian functions. This accurate PES is being employed to evaluate theOH~-(X ~1Σ~+)vibrational quenching efficiency induced by collisions with Rb(2S) at low and ultralowenergies. Calculations employ the coupled-channel ansatz to describe the nuclear quantum dynamicsand finally show a very marked dependence of the inelastic cross sections and rates, at vanishingcollision energies, on the initial vibrational energy content of the partner molecules. The presentfindings allow us to make specific suggestions on the likely outcomes from energy interplaybetween the title species within a mixed MOT/Paul Trap environment.
机译:通过使用高度相关的电子结构从头算模型,获得了一个新的三维势能表面(PES),该表面描述了OH-(X〜1Σ〜+)分子与Rb(〜2S)原子气体之间的相互作用。和一个大原子基础集,并辅以一组中键高斯函数。该精确的PES被用于评估在低和超低能量下与Rb(2S)碰撞引起的OH〜-(X〜1Σ〜+)振动猝灭效率。计算使用耦合通道ansatz来描述核量子动力学,并最终显示了在消失的碰撞能量下,非弹性截面和速率与配偶体分子的初始振动能含量之间的显着相关性。本研究发现使我们能够针对混合MOT / Paul Trap环境中标题物种之间能量相互作用的可能结果提出具体建议。

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