High accuracy results for the energy levels of the molecular ions H2+, D2+ and HD+, up to J=2

被引:52
作者
Karr, JP
Hilico, L
机构
[1] Univ Evry Val Essonne, Dept Phys & Modelisat, F-91025 Evry, France
[2] Univ Paris 06, Lab Kastler Brossel, F-75252 Paris, France
关键词
D O I
10.1088/0953-4075/39/8/024
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We present a nonrelativistic calculation of the rotation-vibration levels of the molecular ions H-2(+), D-2(+) and HD+, relying on the diagonalization of the exact three-body Hamiltonian in a variational basis. The J = 2 levels are obtained with a very high accuracy of 10(-14) au (for most levels) representing an improvement by five orders of magnitude over previous calculations. The accuracy is also improved for the J = I levels of H-2(+) and D-2(+) with respect to earlier works. Moreover, we have computed the sensitivities of the energy levels with respect to the mass ratios, allowing these levels to be used for metrological purposes.
引用
收藏
页码:2095 / 2105
页数:11
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