4.6 Article

Leading-order relativistic corrections to the hydrogen molecular ion

Journal

PHYSICAL REVIEW A
Volume 79, Issue 6, Pages -

Publisher

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevA.79.064502

Keywords

hydrogen ions; hyperfine structure; positive ions; relativistic corrections; rotational-vibrational states; variational techniques

Funding

  1. NSFC [10674154]
  2. 973 Program [2005CB724508]
  3. NSERC of Canada.

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We present the improved calculations over the results of Korobov [Phys. Rev. A 74, 052506 (2006)] for the energy levels and hyperfine structure of the hydrogen molecular ion H-2+, including the relativistic corrections of orders alpha(2) Ry and alpha(2)m(e)/m(p) Ry, using variationally constructed basis sets in Hylleraas coordinates. In particular, the computational uncertainty of 3 kHz in Korobov's calculation for the alpha(2) Ry correction to the two-photon transition frequency (L=0,v=0)->(L=0,v=1) is eliminated.

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