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从超低能到中能的(87)Rb+(87)RbHe→Rb2((3)Σ(u)(+),v)+He反应性散射计算

Reactive scattering calculations for (87)Rb+(87)RbHe→Rb2((3)Σ(u)(+),v)+He from ultralow to intermediate energies.

作者信息

Rodríguez-Cantano Rocío, González-Lezana Tomás, Prosmiti Rita, Delgado-Barrio Gerardo, Villarreal Pablo, Jellinek Julius

机构信息

Instituto de Física Fundamental, IFF-CSIC, Serrano 123, 28006 Madrid, Spain.

Chemical Sciences and Engineering Division, Argonne National Laboratory, Argonne, Illinois 60439, USA.

出版信息

J Chem Phys. 2015 Apr 28;142(16):164304. doi: 10.1063/1.4919062.

Abstract

We investigate atom-diatom reactive collisions, as a preliminary step,in order to assess the possibility of forming Rb(2) molecules in their lowest triplet electronic state by cold collisions of rubidium atoms on the surface of helium nanodroplets [corrected]. A simple model related to the well-known Rosen treatment of linear triatomic molecules [N. Rosen, J. Chem. Phys. 1, 319 (1933)] in relative coordinates is used, allowing to estimate reactive probabilities for different values of the total angular momentum. The best available full dimensional potential energy surface [Guillon et al., J. Chem. Phys. 136, 174307 (2012)] is employed through the calculations. Noticeable values of the probabilities in the ultracold regime, which numerically fulfill the Wigner threshold law, support the feasibility of the process. The rubidium dimer is mainly produced at high vibrational states, and the reactivity is more efficient for a bosonic helium partner than when the fermion species is considered.

摘要

作为初步步骤,我们研究了原子 - 双原子反应碰撞,以评估通过铷原子在氦纳米滴表面的冷碰撞形成处于最低三重态电子态的Rb₂分子的可能性[已修正]。我们使用了一个与著名的线性三原子分子的罗森处理方法[N. 罗森,《化学物理杂志》1, 319 (1933)]相关的简单模型,该模型采用相对坐标,从而能够估计不同总角动量值下的反应概率。在计算过程中采用了现有的最佳全维势能面[吉永等人,《化学物理杂志》136, 174307 (2012)]。在极冷区域,概率值显著,在数值上符合维格纳阈值定律,这支持了该过程的可行性。铷二聚体主要在高振动态产生,并且对于玻色子氦伙伴,反应性比考虑费米子物种时更有效。

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