Isotope shifts of the 1s22s2(1S0) 1s22p2(1S0) transition in the doubly ionized carbon ion C2+

Sergiy Bubin, Jacek Komasa, Monika Stanke, and Ludwik Adamowicz
Phys. Rev. A 81, 052504 – Published 14 May 2010

Abstract

Highly accurate quantum mechanical calculations are performed for the 1s22s2 (1S0) 1s22p2 (1S0) transition energy in the isotopomers of C2+ ion to determine the isotope shifts. Explicitly correlated Gaussian functions and a variational approach that explicitly includes the nuclear motion are employed in the calculations. The leading relativistic and quantum electrodynamics corrections to the transition energy are also calculated using the perturbation theory with the nonrelativistic wave function as the zero-order approximation. It is determined that the 12C2+ transitions energy, which is obtained from the calculations to be 182 519.031 cm1 (vs the experimental value of 182 519.88 cm1, an excellent sub-wave-number agreement) up-shifts by 1.755 cm1 for 13C2+ and by additional 1.498 cm1 for 14C2+. Those shifts are sufficiently large to be measured experimentally.

  • Received 2 January 2010

DOI:https://doi.org/10.1103/PhysRevA.81.052504

©2010 American Physical Society

Authors & Affiliations

Sergiy Bubin1, Jacek Komasa2, Monika Stanke3, and Ludwik Adamowicz4,5

  • 1Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA
  • 2Quantum Chemistry Group, Faculty of Chemistry, A. Mickiewicz University, ulica Grunwąldzka 6, PL-60-780 Poznań, Poland
  • 3Institute of Physics, Nicholas Copernicus University, ulica Grudziądzka 5, PL-87-100 Toruń, Poland
  • 4Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721, USA
  • 5Department of Physics, University of Arizona, Tucson, Arizona 85721, USA

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Issue

Vol. 81, Iss. 5 — May 2010

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