Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA.
J Chem Phys. 2011 Jan 14;134(2):024103. doi: 10.1063/1.3525679.
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.
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。
