The moment coupling of an interacting ion and an atom with a 3 d -electron shell is analyzed for the ground state of identical atoms and ions where resonant charge exchange proceeds with transition of a 4 s -electron. The interaction of the ion charge with the atom quadrupole moment is important for this system along with the exchange interactions and spin-orbit interactions inside an isolated atom and an ion. The quadrupole moment for 3 d -atoms in the ground states is evaluated. The hierarchy of interactions in a molecular ion is analyzed depending on ion-atom distances and is compared with the standard Hund scheme. The resonant charge exchange proceeds effectively at separations corresponding to an intermediate case between cases “a” and “c” of the Hund coupling scheme.
The electronic structure of the
(LiYb)+ molecular ion is investigated with two variants of the coupled cluster method restricted to single, double, and noniterative or linear triple excitations. Potential-energy curves for the ground and excited states, permanent and transition electric dipole moments, and long-range interaction coefficients
C4 and
C6 are reported. The data are subsequently employed in scattering calculations and photoassociation studies. Feshbach resonances are shown to be measurable, despite the ion's micromotion in the Paul trap. Molecular ions can be formed in their singlet electronic ground state by one-photon photoassociation and in triplet states by two-photon photoassociation; and control of cold atom-ion chemistry based on Feshbach resonances should be feasible. Conditions for sympathetic cooling of an
Yb+ ion by an ultracold gas of Li atoms are found to be favorable in the temperature range
10nK−−10mK, and further improvements using Feshbach resonances should be possible. Overall, these results suggest excellent prospects for building a quantum simulator with ultracold
Yb+ ions and Li atoms.
The Fano-equivalent profiles of two negative-ion resonant states have been observed in the integrated Stokes parameters of 636.2 nm photons emitted from the
3d104s4d1D2 state of zinc. These profiles reflect the effects of electron exchange and the spin-orbit interaction via the angular-momentum-dependent properties of the alignment and orientation Stokes parameters. The resonant states have energies of $10.98\ifmmode\pm\else\textpm\fi{}0.02\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ and $11.33\ifmmode\pm\else\textpm\fi{}0.02\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ and widths of $0.25\ifmmode\pm\else\textpm\fi{}0.03\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$ and $0.33\ifmmode\pm\else\textpm\fi{}0.05\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$, respectively, and are bound to an excited atomic state with a
3d9 core hole. The lower-energy resonance shows a strong spin-orbit interaction whereas the higher-energy resonance shows negligible spin-orbit interaction.