2015/09/30 by Michał Tomza
Chemistry · Physics and Astronomy · #Ab initio #Advanced Chemical Physics Studies #Atom (system on chip) #Atomic physics #Charge (physics) #Cold Atom Physics and Bose-Einstein Condensates #Dipole #Heteronuclear molecule #Ion #Molecule #Physics #Quantum #Quantum mechanics #Radiative transfer #Spectroscopy and Laser Applications #Ultracold atom #cond-mat.quant-gas #physics.atom-ph #physics.chem-ph
paper · pdf · doi:10.1103/physreva.92.062701
published as Phys. Rev. A 92, 062701 (2015) · 10 pages, 7 figures, 1 table
openalex publication_date 2015/12/01 · arxiv created 2015/12/14 · arxiv updated 2015/12/15 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
The Ca+, Sr+, Ba+, and Yb+ ions immersed in an ultracold gas of the Cr atoms are proposed as experimentally feasible heteronuclear systems in which ion-atom interactions at ultralow temperatures can be controlled with magnetically tunable Feshbach resonances without charge transfer and radiative losses. Ab initio techniques are applied to investigate electronic-ground-state properties of the (CaCr)+, (SrCr)+, (BaCr)+, and (YbCr)+ molecular ions. The potential energy curves, permanent electric dipole moments, and static electric dipole polarizabilities are computed. The spin-restricted open-shell coupled-cluster method restricted to single, double, and noniterative triple excitations and the multireference configuration-interaction method restricted to single and double excitations are employed. The scalar relativistic effects are included within the small-core energy-consistent pseudopotentials. The leading long-range induction and dispersion interaction coefficients are also reported. Finally, magnetic Feshbach resonances between the Ca+, Sr+, Ba+, and Yb+ ions interacting with the Cr atoms are analyzed. The present proposal opens the way towards robust quantum simulations and computations with ultracold ion-atom systems free of radiative charge-transfer losses.