Improved calculations of the lowest vibrational transitions in HeH+

被引:15
作者
Bubin, Sergiy [1 ]
Stanke, Monika
Kedziera, Dariusz
Adamowicz, Ludwik
机构
[1] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
[2] Nicholas Copernicus Univ, Inst Phys, PL-87100 Torun, Poland
[3] Nicholas Copernicus Univ, Dept Chem, PL-87100 Torun, Poland
[4] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA
来源
PHYSICAL REVIEW A | 2007年 / 76卷 / 02期
关键词
D O I
10.1103/PhysRevA.76.022512
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
More accurate variational calculations of the lowest three pure vibrational states (v=0,1,2) of the (HeH+)-He-4 molecular ion have been carried out without assuming the Born-Oppenheimer approximation. In the calculations we included the complete set of alpha(2) relativistic corrections, i.e., mass-velocity, Darwin, spin-spin, and orbit-orbit. This allowed us to improve the agreement between the theory and the experiment for the vibrational frequencies of the 1 -> 0 and 2 -> 1 transitions as compared to our previous calculations [Stanke , Phys. Rev. Lett. 96, 233002 (2006)].
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页数:7
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