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Bulletin of the American Physical Society

Radiative effects in cold atom-ion chemistry and the development of a molecular ion qubit

Prateek Puri, Michael Mills, Elizabeth P. West, Christian Schneider, Eric Hudson

Published May 28, 2019• 0 citations
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•Feb 26, 2015•46 citations
The potential energy curves, permanent and transition dipole moments, and the static dipolar polarizability, of molecular ions composed of one alkali-metal atom and a strontium ion are determined with a quantum chemistry approach. The molecular ions are treated as effective two-electron systems and are treated using effective core potentials including core polarization, large gaussian basis sets, and full configuration interaction. In the perspective of upcoming experiments aiming at merging cold atom and cold ion traps, possible paths for radiative charge exchange, photoassociation of a cold lithium or rubidium atom and a strontium ion are discussed, as well as the formation of stable molecular ions.
The potential energy curves, permanent and transition dipole moments, and the static dipo-lar polarizability, of molecular ions composed of one alkali-metal atom and a Strontium ion are determined with a quantum chemistry approach. The molecular ions are treated as effective two-electron systems and are treated using effective core potentials including core polarization, large gaussian basis sets, and full configuration interaction. In the perspective of upcoming experiments aiming at merging cold atom and cold ion traps, possible paths for radiative charge exchange, photoassociation of a cold Lithium or Rubidium atom and a Strontium ion are discussed, as well as the formation of stable molecular ions. PACS numbers: 31.15.AR,31.15.Ct,31.50.Be,31.50.Df ∗O. Dulieu:
Radiative emission during cold collisions between trapped laser-cooled Rb atoms and alkaline-earth ions (Ca+^++, Sr+^++, Ba+^++) and Yb+^++, and between Li and Yb+^++, are studied theoretically, using accurate effective-core-potential based quantum chemistry calculations of potential energy curves and transition dipole moments of the related molecular ions. Radiative association of molecular ions is predicted to occur for all systems with a cross section two to ten times larger than the radiative charge transfer one. Partial and total rate constants are also calculated and compared to available experiments. Narrow shape resonances are expected, which could be detectable at low temperature with an experimental resolution at the limit of the present standards. Vibrational distributions are also calculated, showing that the final molecular ions are not created in their ground state level.