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无 Born-Oppenheimer 近似和主要相对论修正计算的 7LiH+ 离子振动跃迁。

Vibrational transitions of the 7LiH+ ion calculated without the Born-Oppenheimer approximation and with leading relativistic corrections.

机构信息

Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA.

出版信息

J Chem Phys. 2011 Jan 14;134(2):024103. doi: 10.1063/1.3525679.

Abstract

We recently presented very accurate calculations of the fundamental vibrational frequency of the (7)LiH(+) and (3)He(4)He(+) ions [Stanke et al. Phys. Rev. A 79, 060501(R) (2009)] performed without the Born-Oppenheimer approximation and included leading relativistic corrections. The accuracy of those calculations was estimated to be of the order of 0.06 cm(-1). In the present work we extend the calculations to the remaining pure vibrational states of (7)LiH(+) and similarly accurate results are generated. They may lead to the experimental search for still unidentified lines corresponding to those transitions.

摘要

我们最近对(7)LiH(+)和(3)He(4)He(+)离子的基本振动频率进行了非常精确的计算[Stanke 等人,Phys. Rev. A 79, 060501(R) (2009)],计算过程中没有采用 Born-Oppenheimer 近似,且包含了主要的相对论修正。这些计算的精度估计在 0.06 cm(-1)以内。在本工作中,我们将计算扩展到(7)LiH(+)的其余纯振动态,并生成了类似的精确结果。这些结果可能会促使人们去实验寻找与这些跃迁相对应的、尚未被识别的谱线。

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