Convergence of experiment and theory on the pure vibrational spectrum of HeH(+).
Convergence of experiment and theory on the pure vibrational spectrum of HeH(+).
复制标题
HeH( )纯振动谱的实验与理论收敛。
DOI：
10.1103/physrevlett.96.233002
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发表时间：
2006
影响因子：
8.6
通讯作者：
L. Adamowicz
中科院分区：
文献类型：
--
作者：
M. Stanke;D. Kȩdziera;M. Molski;S. Bubin;M. Barysz;L. Adamowicz
非常精确的量子力学计算的分子离子的纯振动光谱的报告和新获得的纯振动跃迁提取的可用的实验数据进行比较。计算中不考虑核运动和电子运动的可分离性，并考虑了一阶相对论质量-速度修正和达尔文修正。对于两个最低的跃迁，其实验能量的建立具有最高的精度，计算和实验结果显示出很好的一致性。
Very accurate quantum mechanical calculations of the pure vibrational spectrum of the molecular ion are reported and compared with newly obtained pure vibrational transitions extracted from the available experimental data. The calculations are performed without assuming the Born-Oppenheimer approximation regarding separability of the nuclear and electronic motions and include the first order relativistic mass-velocity and Darwin corrections. For the two lowest transitions, whose experimental energies are established with the highest precision, the calculated and the experimental results show very good agreement.