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首页> 外文期刊>The Journal of Chemical Physics >Long-range interactions between polar bialkali ground-state molecules in arbitrary vibrational levels
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Long-range interactions between polar bialkali ground-state molecules in arbitrary vibrational levels

机译:极性Bialkali基态分子之间在任意振动水平下的远程相互作用

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We have calculated the isotropic C-6 coefficients characterizing the long-range van der Waals interaction between two identical heteronuclear alkali-metal diatomic molecules in the same arbitrary vibrational level of their ground electronic state X-1 Sigma(+). We consider the ten species made up of Li-7, Na-23, K-39, Rb-87, and Cs-133. Following our previous work [Lepers et al., Phys. Rev. A 88, 032709 (2013)], we use the sum-over-state formula inherent to the second-order perturbation theory, composed of the contributions from the transitions within the ground state levels, from the transition between ground-state and excited state levels, and from a crossed term. These calculations involve a combination of experimental and quantum-chemical data for potential energy curves and transition dipole moments. We also investigate the case where the two molecules are in different vibrational levels and we show that the Moelwyn-Hughes approximation is valid provided that it is applied for each of the three contributions to the sum-over-state formula. Our results are particularly relevant in the context of inelastic and reactive collisions between ultracold bialkali molecules in deeply bound or in Feshbach levels. (C) 2015 AIP Publishing LLC.
机译:我们已经计算出各向同性的C-6系数,这些系数表征了两个相同的异核碱金属双原子分子在其基态电子状态X-1 Sigma(+)的相同任意振动水平上的长程范德华相互作用。我们考虑了由Li-7,Na-23,K-39,Rb-87和Cs-133组成的10个物种。遵循我们之前的工作[Lepers等,Phys。 Rev. A 88,032709(2013)],我们使用二阶微扰理论固有的求和状态公式,该公式由基态水平内的跃迁,基态与基态之间的跃迁的贡献组成激发态水平,以及交叉条件。这些计算涉及势能曲线和跃迁偶极矩的实验数据和量子化学数据的组合。我们还研究了两个分子处于不同振动水平的情况,并且我们证明了Moelwyn-Hughes逼近是有效的,前提是将其应用于求和状态公式的三个贡献中的每一个。我们的结果在深结合或Feshbach水平的超冷Bialkali分子之间发生非弹性和反应性碰撞的情况下特别有意义。 (C)2015 AIP Publishing LLC。

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