Energies and polarizabilities of the hydrogen molecular ions

The nonrelativistic energies of the hydrogen molecular ions H{sub 2}{sup +}, D{sub 2}{sup +}, T{sub 2}{sup +}, HD{sup +}, HT{sup +}, and DT{sup +} are evaluated for the ground and the first-excited P states, using variational wave functions in Hylleraas coordinates. The dipole polarizabilities of th...

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Veröffentlicht in:Physical review. A, Atomic, molecular, and optical physics Atomic, molecular, and optical physics, 2003-06, Vol.67 (6), Article 062504
Hauptverfasser: Yan, Zong-Chao, Zhang, Jun-Yi, Li, Yue
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Sprache:eng
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Zusammenfassung:The nonrelativistic energies of the hydrogen molecular ions H{sub 2}{sup +}, D{sub 2}{sup +}, T{sub 2}{sup +}, HD{sup +}, HT{sup +}, and DT{sup +} are evaluated for the ground and the first-excited P states, using variational wave functions in Hylleraas coordinates. The dipole polarizabilities of the ground states of the ions are determined precisely. Our results for the dipole polarizabilities represent the most accurate calculations reported so far. For H{sub 2}{sup +}, for example, the dipole polarizability is 3.168 725 802 67(1)a{sub 0}{sup 3}, with the uncertainty of three parts in 10{sup 12}.
ISSN:1050-2947
1094-1622
DOI:10.1103/PhysRevA.67.062504