Isotope shifts of the $1s^22s^2$($^1S_0$) $rightarrow$ $1s^22p^2$($^1S_0$) transition in the doubly ionized carbon ion $C^2+$

Authors:

• Sergiy Bubin,
• Jacek Komasa,
• Monika Stanke,
• Ludwik Adamowicz

Abstract

PHYSICAL REVIEW A81, 052504 (2010)Isotope shifts of the 1s22s2(1S0)→1s22p2(1S0) transition in the doubly ionized carbon ion C2+Sergiy Bubin,1Jacek Komasa,2Monika Stanke,3and Ludwik Adamowicz4,51Department of Physics and Astronomy, Vanderbilt University, Nashville, Tennessee 37235, USA2Quantum Chemistry Group, Faculty of Chemistry, A. Mickiewicz University, ulica Grunwa ̨ldzka 6, PL-60-780 Pozna ́n, Poland3Institute of Physics, Nicholas Copernicus University, ulica Grudzia ̨dzka 5, PL-87-100 Toru ́n, Poland4Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721, USA5Department of Physics, University of Arizona, Tucson, Arizona 85721, USA(Received 2 January 2010; published 14 May 2010)Highly accurate quantum mechanical calculations are performed for the 1s22s2(1S0)→1s22p2(1S0) transitionenergy in the isotopomers of C2+ion to determine the isotope shifts. Explicitly correlated Gaussian functionsand a variational approach that explicitly includes the nuclear motion are employed in the calculations. Theleading relativistic and quantum electrodynamics corrections to the transition energy are also calculated using theperturbation theory with the nonrelativistic wave function as the zero-order approximation. It is determined thatthe12C2+transitions energy, which is obtained from the calculations to be 182 519.031 cm−1(vs the experimentalvalue of 182 519.88 cm−1, an excellent sub-wave-number agreement) up-shifts by 1.755 cm−1for13C2+and byadditional 1.498 cm−1for14C2+. Those shifts are sufficiently large to be measured experimentally