Convergence of experiment and theory on the pure vibrational spectrum of HeH+

被引:52
作者
Stanke, M
Kedziera, D
Molski, M
Bubin, S
Barysz, M
Adamowicz, L
机构
[1] Nicholas Copernicus Univ, Inst Phys, PL-87100 Torun, Poland
[2] Nicholas Copernicus Univ, Dept Chem, PL-87100 Torun, Poland
[3] Adam Mickiewicz Univ Poznan, Fac Chem, Dept Theoret Chem, PL-60780 Poznan, Poland
[4] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA
[5] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
关键词
D O I
10.1103/PhysRevLett.96.233002
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Very accurate quantum mechanical calculations of the pure vibrational spectrum of the HeH+ 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.
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页数:4
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