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The fully relativistic multi-configuration Dirac–Hartree–Fock method is employed to investigate the atomic properties of the ground configuration 4p2 of Ge-like highly charged ions (HCIs). These properties include energy levels, magnetic dipole (M1) and electric quadrupole (E2) transition wavelengths and probabilities, Landé gJ factors, hyperfine structure constants, and other physical quantities relevant to clock transitions. The influence of electron correlation effects from different electronic shells on atomic properties is examined in detail using the active space method. The finite nuclear size effect, Breit interaction and quantum electrodynamics effect have also been appropriately considered. The computed results demonstrate excellent agreement with available experimental and theoretical data. Notably, our results reveal that the 3d electron shells play a critical role in determine the energy, wave functions, and atomic properties of ions with low ionization degree. This implies that accounting for the considerable contribution of inner-shell electron in the calculations of such ions will improve the accuracy of theoretical modeling. Through an analysis on the properties of relevant ions, we find that the M1 and E2 transitions of selected HCIs exhibit suitable clock transition wavelengths, narrow natural linewidths, high quality factors, and high sensitivity to variations in the fine structure constant α. These ions hold significant potential for applications in the development of optical clocks and the investigation of potential variation of fine structure constant.

In this study, comprehensive calculations of energies, hyperfine structure constants, Landé gJ factors and isotope shifts have been performed for the lowest 71 states of Na-like Ar7+, Kr25+ and Xe43+ ions. Radiative parameters viz., wavelengths, transition rates, oscillator strengths and lifetimes are estimated for the electric dipole E1 transitions among these levels. The states under consideration include 1s22s22p6nl for n = 3–9, l = 0–6, and the fully relativistic multiconfiguration Dirac–Hartree–Fock (MCDHF) method integrated in the latest version of the general-purpose relativistic atomic structure package (GRASP2018) is used for the calculations. The additional corrections, such as the Breit interaction and quantum electrodynamics effects are included in the relativistic configuration interaction calculations, and their effects on energies and other parameters are analysed. We examined the impact of including the core–core and core–valence correlations on level energies. Furthermore, to inspect the reliability of our MCDHF results, we performed another set of calculations using the many-body perturbation theory built into the Flexible Atomic Code (FAC). Moreover, we estimated the uncertainties in the computed lifetimes and transition parameters and assigned their accuracy class. A thorough comparison between the two obtained calculations and with the previous theoretical and experimental results, wherever available, is carried out and a good agreement is observed.

Laser interferometers can achieve a nanometer-order uncertainty of measurements when their frequencies are locked to the reference frequencies of the atom or molecule transitions. There are three types of displacement-measuring interferometers: homodyne, heterodyne, and frequency modulation (FM) interferometers. Among these types of interferometer, the FM interferometer has many advantageous features. The interference signal is a series of time-dependent harmonics of modulation frequency, so the phase shift can be detected accurately using the synchronous detection method. Moreover, the FM interferometer is the most suitable for combination with a frequency-locked laser because both require frequency modulation. In previous research, low modulation frequencies at some tens of kHz have been used to lock the frequency of laser diodes (LDs). The low modulation frequency for the laser source means that the maximum measurement speed of the FM interferometers is limited. This paper proposes a novel contribution regarding the application of a high-frequency modulation for an LD to improve both the frequency stability of the laser source and the measurement speed of the FM interferometer. The frequency of the LD was locked to an I2 hyperfine component at 1 MHz modulation frequency. A high bandwidth lock-in amplifier was utilized to detect the saturated absorption signals of the I2 hyperfine structure and induce the signal to lock the frequency of the LD. The locked LD was then used for an FM displacement measuring interferometer. Moreover, a suitable modulation amplitude that affected the signal-to-noise ratio of both the I2 absorption signal and the harmonic intensity of the interference signal was determined. In order to verify the measurement resolution of the proposed interferometer, the displacement induced by a piezo electric actuator was concurrently measured by the interferometer and a capacitive sensor. The difference of the displacement results was less than 20 nm. To evaluate the measurement speed, the interferometer was used to measure the axial error of a high-speed spindle at 500 rpm. The main conclusion of this study is that a stable displacement interferometer with high accuracy and a high measurement speed can be achieved using an LD frequency locked to an I2 hyperfine transition at a high modulation frequency.

We discuss how the internal structure of ultracold molecules, trapped in the motional ground state of optical tweezers, can be used to implement qudits. We explore the rotational, fine and hyperfine structure of 40Ca19F and 87Rb133Cs, which are examples of molecules with 2 and 1 electronic ground states, respectively. In each case we identify a subset of levels within a single rotational manifold suitable to implement a four-level qudit. Quantum gates can be implemented using two-photon microwave transitions via levels in a neighboring rotational manifold. We discuss limitations to the usefulness of molecular qudits, arising from off-resonant excitation and decoherence. As an example, we present a protocol for using a molecular qudit of dimension d = 4 to perform the Deutsch algorithm.

Pressure shifts inside an atomic beam are among the more theoretically challenging effects in high-precision measurements of atomic transitions. A crucial element in their theoretical analysis is the understanding of long-range interatomic interactions inside the beam. For excited reference states, the presence of quasi-degenerate states leads to additional challenges, due to the necessity to diagonalize large matrices in the quasi-degenerate hyperfine manifolds. Here, we focus on the interactions of hydrogen atoms in reference states composed of an excited nD state (atom A), and in the metastable 2S state (atom B). We devote special attention to the cases n=3 and n=8. For n=3, the main effect is generated by quasi-degenerate virtual P states from both atoms A and B and leads to experimentally relevant second-order long-range (van-der-Waals) interactions proportional to the sixth inverse power of the interatomic distance. For n=8, in addition to virtual states with two states of P symmetry, one needs to take into account combined virtual P and F states from atoms A and B. The numerical value of the so-called C6 coefficients multiplying the interaction energy was found to grow with the principal quantum number of the reference D state; it was found to be of the order of 1011 in atomic units. The result allows for the calculation of the pressure shift inside atomic beams while driving transitions to nD states.

The optical properties of subwavelength arrays of atoms or other quantum emitters have attracted significant interest recently. For example, the strong constructive or destructive interference of emitted light enables arrays to function as nearly perfect mirrors, support topological edge states, and allow for exponentially better quantum memories. In these proposals, the assumed atomic structure was simple, consisting of a unique electronic ground state. Within linear optics, the system is then equivalent to a periodic array of classical dielectric particles, whose periodicity supports the emergence of guided modes. However, it has not been known whether such phenomena persist in the presence of hyperfine structure, as exhibited by most quantum emitters. Here, we show that waveguiding can arise from rich atomic entanglement as a quantum many-body effect and elucidate the necessary conditions. Our work represents a significant step forward in understanding collective effects in arrays of atoms with realistic electronic structure.

We propose a new scalable platform for quantum computing (QC)-an array of optically trapped symmetric-top molecules (STMs) of the alkaline earth monomethoxide (MOCH3) family. Individual STMs form qubits, and the system is readily scalable to 100-1000 qubits. STM qubits have desirable features for QC compared to atoms and diatomic molecules. The additional rotational degree of freedom about the symmetric-top axis gives rise to closely spaced opposite parity K-doublets that allow full alignment at low electric fields, and the hyperfine structure naturally provides magnetically insensitive states with switchable electric dipole moments. These features lead to much reduced requirements for electric field control, provide minimal sensitivity to environmental perturbations, and allow for 2-qubit interactions that can be switched on at will. We examine in detail the internal structure of STMs relevant to our proposed platform, taking into account the full effective molecular Hamiltonian including hyperfine interactions, and identify useable STM qubit states. We then examine the effects of the electric dipolar interaction in STMs, which not only guide the design of high-fidelity gates, but also elucidate the nature of dipolar exchange in STMs. Under realistic experimental parameters, we estimate that the proposed QC platform could yield gate errors at the 10−3 level, approaching that required for fault-tolerant QC.

The interaction of nuclei with nonzero spin with electron spins creates small electronic energy. With a scanning tunneling microscope tip, Willke et al. measured these hyperfine interactions for iron and titanium atoms that were manipulated on a magnesium oxide surface. The tip was also used to measure electron paramagnetic resonance spectra. The hyperfine structure of single atoms was sensitive to the binding site of the atom as well as its position relative to other magnetic atoms. Science , this issue p. 336 Atom manipulation and spin sensing with scanning tunneling microscopy reveal details underlying hyperfine interactions. Taking advantage of nuclear spins for electronic structure analysis, magnetic resonance imaging, and quantum devices hinges on knowledge and control of the surrounding atomic-scale environment. We measured and manipulated the hyperfine interaction of individual iron and titanium atoms placed on a magnesium oxide surface by using spin-polarized scanning tunneling microscopy in combination with single-atom electron spin resonance. Using atom manipulation to move single atoms, we found that the hyperfine interaction strongly depended on the binding configuration of the atom. We could extract atom- and position-dependent information about the electronic ground state, the state mixing with neighboring atoms, and properties of the nuclear spin. Thus, the hyperfine spectrum becomes a powerful probe of the chemical environment of individual atoms and nanostructures.

We theoretically investigate the laser cooling of fermionic barium monofluoride ( 137 BaF) molecules, which are promising candidates for precision studies of weak parity violation and nuclear anapole moments. This molecular species features two nuclear spins, resulting in a hyperfine structure that is considerably more complicated than the one found in the usual laser-cooled diatomics. We use optical Bloch equations and rate equations to show that optical cycling, sub-Doppler cooling and bichromatic forces can all be realized under realistically achievable experimental conditions.