The magnetic-dipole transition probabilities between the fine-structure levels (1s^2 2s^2 2p) ^2P_1/2 - ^2P_3/2 for B-like ions and (1s^2 2s 2p) ^3P_1 - ^3P_2 for Be-like ions are calculated. The configuration-interaction method in the Dirac-Fock-Sturm basis is employed for the evaluation of the interelectronic-interaction correction with negative-continuum spectrum being taken into account. The 1/Z interelectronic-interaction contribution is derived within a rigorous QED approach employing the two-time Green function method. The one-electron QED correction is evaluated within framework of the anomalous magnetic-moment approximation. A comparison with the theoretical results of other authors and with available experimental data is presented.
The static dipole polarizability for the hydrogen molecular ions H$_2^+$, HD$^+$, and D$_2^+$ are calculated. These new data for polarizability takes into account the leading order relativistic corrections to the wave function of the three-body system resulted from the Breit-Pauli Hamiltonian of $mα^4$ order. Our study covers a wide range of rotational ($L=0-5$) and vibrational ($v=0-10$) states, which are of practical interest for precision spectroscopy of the hydrogen molecular ions.
In this Letter, we investigate the non-dipole effects in time delay of photoelectrons emitted by multi-electron atoms, negative ions, and respective endohedrals. We present the necessary general formulas in the frame of the random phase approximation with exchange (RPAE) applied to atoms, negative ions, and properly adjusted to endohedrals. We concentrate on low photon energy region, where non-dipole effects are very small in the cross-sections but become observable in angular distributions. We not only derive the formulas for non-dipole effects in time delay, but perform corresponding numeric…
Apropos to the growing interest in the study of long-range interactions which for their applications in cold atom physics, we have performed theoretical calculation for the two-dipole $C_6$ and three-dipole $C_9$ dispersion coefficients involving alkaline-earth atoms with alkaline-earth atoms and alkaline-earth ions. The $C_6$ and $C_9$ coefficients are expressed in terms of the dynamic dipole polarizabilities, which are calculated using relativistic methods. Thereafter, the calculated $C_6$ coefficients for the considered alkaline-earth atoms among themselves are compared with the previously …
The quantum electrodynamical theory of the three-photon transitions in hydrogen-like ions is presented. Emission probabilities of various three-photon decay channels for $ 2p_{3/2} $, $ 2p_{1/2} $ and $ 2s_{1/2} $ states are calculated for the nuclear charge $Z$ values $1\leqslant Z \leqslant 95$. The results are given in two different gauges. The fully relativistic three-photon decay rates of hydrogen-like ions with half-integer nuclear spin are given for transitions between fine structure components. The results can be applied to the tests of the Bose-Einstein statistics for the multiphoton …
We consider the practical feasibility of using the direct, electric dipole-dipole interaction between co-trapped molecular ions for robust quantum logic without the need for static polarizing fields. The use of oscillating dipole moments, as opposed to static electric dipoles, dynamically decouples the dipoles from laboratory fields, including the electric fields of the trap itself. Further, this implementation does not require quantum control of motion, potentially removing a major roadblock to ion trap quantum computing scalability. Since the polarizing field is electromagnetic radiation, ev…
We compute the ground-state electric dipole polarizability of group-IIIA ions using the perturbed relativistic coupled-cluster (PRCC) theory. To account for the relativistic effects and QED corrections, we use the Dirac-Coulomb-Breit Hamiltonian with the corrections from the Uehling potential and the self-energy. The effects of triple excitations are considered perturbatively in the PRCC. Our PRCC results for $α$ are good in agreement with the previous theoretical results for all the ions. From our computations we find that the nonlinear terms in PRCC have significant contributions and must be…
The hyperfine induced $4f^{14}5s5p~^3\mathrm{P}^o_{0,2}~-~4f^{14}5s^2~^1\mathrm{S}_0$ transition probabilities for highly charged Sm-like ions are calculated in the framework of the multi-configuration Dirac-Hartree-Fock method. Electron correlation, the Breit interaction and quantum electrodynamical (QED) effects are taken into account. For ions ranging from $Z=79$ to $Z=94$, $4f^{14}5s5p~^3\mathrm{P}^o_{0}$ is the first excited state, and the hyperfine induced transition is an dominant decay channel. For the $4f^{14}5s5p~^3\mathrm{P}^o_{2}$ state, the hyperfine induced transition (HIT) rates…
A comprehensive theoretical study of the E1, M1, E2 transitions of Ca-like tungsten ions is presented. Using multi-configuration Dirac-Fock (MCDF) method with a restricted active space treatment, the wavelengths and probabilities of the M1 and E2 transitions between the multiplets of the ground state configuration ([Ne]3s$^{2}$3p$^{6}$3d$^{2}$) and of the E1 transitions between [Ne]3s$^{2}$3p$^{5}$3d$^{3}$ and [Ne]3s$^{2}$3p$^{6}$3d$^{2}$ have been calculated. The results are in reasonable agreement with available experimental data. The present E1 and M1 calculations are compared with previous…
Ion-atom interactions are a comparatively recent field of research that has drawn considerable attention due to its applications in areas including quantum chemistry and quantum simulations. In first experiments, atomic ions and neutral atoms have been successfully overlapped by devising hybrid apparatuses combining established trapping methods, Paul traps for ions and optical or magneto-optical traps for neutral atoms, respectively. Since then, the field has seen considerable progress, but the inherent presence of radiofrequency (rf) fields in such hybrid traps was found to have a limiting im…
The interaction between the electric dipole moment of a trapped molecular ion and the configuration of the confined Coulomb crystal couples the orientation of the molecule to its motion. We consider the practical feasibility of harnessing this interaction to initialize, process, and read out quantum information encoded in molecular ion qubits without optically illuminating the molecules. We present two schemes wherein a molecular ion can be entangled with a co-trapped atomic ion qubit, providing, among other things, a means for molecular state preparation and measurement. We also show that vir…
The efficiency of optical trapping of ultracold atoms depend on the atomic dynamic dipole polarizability governing the atom-field interaction. In this article, we have calculated the real and imaginary parts of the dynamic dipole polarizability of dysprosium in the ground and first excited level. Due to the high electronic angular momentum of those two states, the polarizabilities possess scalar, vector and tensor contributions that we have computed, on a wide range of trapping wavelengths, using the sum-over-state formula. Using the same formalism, we have also calculated the $C_6$ coefficien…
Recent theoretical investigations of pair-production probabilities for given sets of nuclear trajectories predict the observability of spontaneous positron emission in elastic collisions of heavy ions. These calculations are extended to the investigation of ratios $P_{y}(η)/P_{y}(1)$ for partial probabilities of positron emission at small positron energies. The results suggest a possible observability of spontaneous positron emission in elastic collisions of bare heavy ions by analyzing the slope of $P_{y}(η)/P_{y}(1)$ for values of $R_{min}$ $~_{\sim}\!\!\!\!^<$ 0.75 $R_{cr}$. In addition cal…
An {\it ab initio} relativistic coupled-cluster theory of dipole and quadrupole polarizabilities: Applications to a few alkali atoms and alkaline earth ions
We present electric dipole polarizabilities ($α_d$) of the alkali-metal negative ions, from H$^-$ to Fr$^-$, by employing four-component relativistic many-body methods. Differences in the results are shown by considering Dirac-Coulomb (DC) Hamiltonian, DC Hamiltonian with the Breit interaction, and DC Hamiltonian with the lower-order quantum electrodynamics interactions. At first, these interactions are included self-consistently in the Dirac-Hartree-Fock (DHF) method, and then electron correlation effects are incorporated over the DHF wave functions in the second-order many-body perturbation …
Energy levels, magnetic dipole, and electric quadrupole hyperfine structure of the superheavy element rutherfordium (Rf, $Z$=104) and its first three ions are calculated using a combination of the configuration interaction, coupled-cluster single-doubles, and many-body perturbation theory techniques. The results are to be used in future interpretations of the measurements in terms of nuclear magnetic dipole and electric quadrupole momenta. To have a guide on the accuracy of the study, we perform similar calculations for hafnium (Hf, $Z$=72) and its ions. Hf is a lighter analog of Rf with a sim…
Highly charged ions (HCIs) are promising candidates for the next generation of atomic clocks, owing to their tightly bound electron cloud, which significantly suppresses the common environmental disturbances to the quantum oscillator. Here we propose and pursue an experimental strategy that, while focusing on various HCIs of a single atomic element, keeps the number of candidate clock transitions as large as possible. Following this strategy, we identify four adjacent charge states of nickel HCIs that offer as many as six optical transitions. Experimentally, we demonstrated the essential capab…
We investigate the possibility of observing a magneto-transverse scattering of photons from alkaline-earth-like atoms as well as alkali-like ions and provide orders of magnitude. The transverse magneto-scattering is physically induced by the interference between two possible quantum transitions of an outer electron in a S-state, one dispersive electric-dipole transition to a P-orbital state and a second resonant electric-quadrupole transition to a P-orbital state. In contrast with previous mechanisms proposed for such an atomic photonic Hall effect, no real photons are scattered by the electri…
We describe the first precision measurement of the electron's electric dipole moment (eEDM, $d_e$) using trapped molecular ions, demonstrating the application of spin interrogation times over 700 ms to achieve high sensitivity and stringent rejection of systematic errors. Through electron spin resonance spectroscopy on $^{180}{\rm Hf}^{19}{\rm F}^{+}$ in its metastable $^{3}Δ_{1}$ electronic state, we obtain $d_e = (0.9 \pm 7.7_{\rm stat} \pm 1.7_{\rm syst}) \times 10^{-29}\,e\,{\rm cm}$, resulting in an upper bound of $|d_e| < 1.3 \times 10^{-28}\,e\,{\rm cm}$ (90% confidence). Our result pro…
Influence of external electric fields on multi-photon transitions between the 2s, 2p and 1s levels for hydrogen and anti-hydrogen atoms and hydrogen-like ions
Accurate values of electric dipole (E1) amplitudes along with their uncertainties for a number of transitions among low-lying states of Mg$^+$, Ca$^+$, Sr$^+$, and Ba$^+$ are listed by carrying out calculations using a relativistic all-order many-body method. By combining experimental wavelengths with these amplitudes, we quote transition probabilities, oscillator strengths and lifetimes of many short-lived excited states of the above ions. The uncertainties in these radiative properties are also quoted. We also give electric quadrupole (E2) and magnetic dipole (M1) amplitudes of the metastabl…
The quadrupole interaction between the Rydberg electronic states of a Rydberg ion and the radio frequency electric field of the ion trap is analyzed. Such a coupling is negligible for the lowest energy levels of a trapped ion but it is important for a trapped Rydberg ion due to its large electric dipole moment. This coupling cannot be neglected by the standard rotating-wave approximation because it is comparable to the frequency of the trapping electric field. We investigate the effect of the quadrupole coupling by performing a suitable effective representation of the Hamiltonian. For a single…
Wavefunction-splitting or mask method, widely used in the non-relativistic calculations of the photoelectron angular distributions, is extended to the relativistic domain within the dipole approximation. Since the closed-form expressions for the relativistic Volkov states are not available within the dipole approximation, we build such states numerically solving a single second-order differential equation. We calculate the photoelectron energy spectra and angular distributions for highly charged ions under different ionization regimes with both the direct and the relativistic mask methods. We …
Dipole-phonon quantum logic (DPQL) leverages the interaction between polar molecular ions and the motional modes of a trapped-ion Coulomb crystal to provide a potentially scalable route to quantum information science. Here, we study a class of candidate molecular ions for DPQL, the cationic alkaline-earth monoxides and monosulfides, which possess suitable structure for DPQL and can be produced in existing atomic ion experiments with little additional complexity. We present calculations of DPQL operations for one of these molecules, CaO$^+$, and discuss progress towards experimental realization…
The study of long-range interactions is increasingly becoming essential due to its various applications in cold atomic physics. These interactions can be conveniently expressed in terms of dispersion coefficients. In the present work, theoretical calculations have been carried out to estimate the two-dipole ($C_6$) and three-dipole ($C_9$) dispersion coefficients between the group XII atoms and their ions, \textit{viz.}, Zn, Cd, Hg, Zn$^+$, Cd$^+$, and Hg$^+$. To obtain these coefficients, the dynamic dipole polarizabilities and reduced matrix elements required are evaluated using the relativi…
Large-scale self-consistent multiconfiguration Dirac--Hartree--Fock and relativistic configuration interaction calculations are reported for the $n \leq 6$ levels in Be-like ions from B II to Ne VII. Effects from electron correlation are taken into account by means of large expansions in terms of a basis of configuration state functions, and a complete and accurate data set of excitation energies, lifetimes, wavelengths, and electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole line strengths, transition rates, and oscillator strengths for these levels is provided for …
The current status of tests of quantum electrodynamics with heavy ions is reviewed. The theoretical predictions for the Lamb shift and the hyperfine splitting in heavy ions are compared with available experimental data. Recent achievements and future prospects in studies of the $g$ factor with highly charged ions are also reported. These studies can provide precise determination of the fundamental constants and tests of QED within and beyond the Furry picture at the strong-coupling regime. Theoretical calculations of the electron-positron pair creation probabilities in low-energy heavy-ion col…
We calculate the spectra, electric dipole transition rates and isotope shifts of the super heavy elements Ds (Z=110), Rg (Z=111) and Cn (Z=112) and their ions. These calculations were performed using a recently developed, efficient version of the ab initio configuration interaction combined with perturbation theory to treat distant effects. The successive ionization potentials of the three elements are also calculated and compared to lighter elements.
Employing two state-of-the-art methods, multiconfiguration Dirac--Hartree--Fock and second-order many-body perturbation theory, the excitation energies and lifetimes for the lowest 200 states of the $2s^2 2p^4$, $2s 2p^5$, $2p^6$, $2s^2 2p^3 3s$, $2s^2 2p^3 3p$, $2s^2 2p^3 3d$, $2s 2p^4 3s$, $2s 2p^4 3p$, and $2s 2p^4 3d$ configurations, and multipole (electric dipole (E1), magnetic dipole (M1), and electric quadrupole (E2)) transition rates, line strengths, and oscillator strengths among these states are calculated for each O-like ion from Cr XVII to Zn XXIII. Our two data sets are compared w…
