Accurate knowledge of interaction potentials among the alkali atoms and alkaline earth ions is very useful in the studies of cold atom physics. Here we carry out theoretical studies of the long-range interactions among the Li, Na, K, and Rb alkali atoms with the Ca$^+$, Ba$^+$, Sr$^+$, and Ra$^+$ alkaline earth ions systematically which are largely motivated by their importance in a number of applications. These interactions are expressed as a power series in the inverse of the internuclear separation $R$. Both the dispersion and induction components of these interactions are determined accurately from the algebraic coefficients corresponding to each power combination in the series. Ultimately, these coefficients are expressed in terms of the electric multipole polarizabilities of the above mentioned systems which are calculated using the matrix elements obtained from a relativistic coupled-cluster method and core contributions to these quantities from the random phase approximation. We also compare our estimated polarizabilities with the other available theoretical and experimental results to verify accuracies in our calculations. In addition, we also evaluate the lifetimes of the first two low-lying states of the ions using the above matrix elements. Graphical representation of the interaction potentials versus $R$ are given among all the considered atoms and ions.
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 …
We have reported the results of ab initio calculations of parity- and time- reversal -odd interaction constants for the ground state of alkaline-earth monofluorides. The Kramers-restricted configuration interaction method limited to single and double excitations in conjunction with the quadruple zeta quality basis sets have been employed to perform these 4-component relativistic calculations. The results are compared with the existing semi-empirical and other theoretical results, wherever available.
Optical tuning of the scattering length of cold alkaline earth atoms
利用光学费什巴赫共振可以调节超冷1 S 0基态碱土原子碰撞的散射长度。这是实现与激光远失谐的激发分子水平附近的频率的原子相互结合1 S 0 - 3 P1过渡。简单的共振散射理论，说明了40钙的例子，允许估计的影响的大小。与碱金属物种不同，由于分子光缔合跃迁的线宽非常窄，散射长度的大变化是可能的，而原子损失仍然很小。这为没有磁调谐费什巴赫共振能级的系统控制原子相互作用提出了前景。
The ground-state permanent dipole moments (PDMs) and molecular dipole polarizabilities (DPs) of open-shell alkaline-earth monofluorides, and atomic DPs of alkaline-earth- and fluorine atoms are reported at the Kramers-restricted configuration interaction level of theory limited to single- and double excitations (KRCISD), using the finite-field approach. Sufficiently large basis sets such as quadruple-zeta (QZ) and augmented-QZ basis sets together with the generalized active space technique is employed to carry out the field dependent energy calculations at the KRCISD level. The PDMs and the co…
Derivations for the higher tensor components of the quadrupole polarizabilities are given and their values for the metastable states of the Ca$^+$, Sr$^+$ and Ba$^+$ alkaline earth-metal ions are estimated. We also give the scalar quadrupole polarizabilities of the ground and metastable states of these ions to compare our results with the previously available theoretical and experimental results. Reasonably good agreement between our calculations with the previous values of scalar quadrupole polarizabilities demonstrate their correctness. The reported scalar and tensor quadrupole polarizabilit…
Ultracold molecules with both electron spin and an electric dipole moment offer new possibilities in quantum science. We use density-functional theory to calculate hyperfine coupling constants for a selection of molecules important in this area, including RbSr, LiYb, RbYb, CaF and SrF. We find substantial hyperfine coupling constants for the fermionic isotopes of the alkaline-earth and Yb atoms. We discuss the hyperfine level patterns and Zeeman splittings expected for these molecules. The results will be important both to experiments aimed at forming ultracold open-shell molecules and to thei…
In continuation to our earlier reported data on the electric dipole (E1) matrix elements and lifetimes of the metastable states of the alkaline earth ions in [Atomic Data and Nuc. Data Tables {\bf 137} (2021) 101381], we present here the tune-out and magic wavelengths of the Mg$^+$, Ca$^+$, Sr$^+$ and Ba$^+$ alkaline earth-metal ions by determining dynamic E1 polarizabilities. Furthermore, we have evaluated the electric quadrupole (E2) matrix elements of a large number of forbidden transitions using an all-order relativistic many-body method and compare them with the previously reported values…
Optical Feshbach resonances of Alkaline-Earth atoms in a 1D or 2D optical lattice
受Zelevinsky等人最近的实验的启发[Phys. Rev. Lett. 96，203201]，我们提出了一个紧凑的一维（1D）或二维（2D）光晶格中的原子的光缔合和光学费什巴赫共振的理论。在碱土金属相互结合共振的情况下，谱线的窄自然宽度使得有可能观察到维度的清晰表现，以及对原子散射长度的一些敏感性。在可能的应用中，2D晶格可以用于将光谱分辨率增加约一个数量级。此外，一维晶格引起的位移提供了一种新的方式来确定共振的光谱测量的强度。
New experimental quantum simulation platforms have recently been implemented with divalent atoms trapped in optical tweezer arrays with promising performance. The second valence electron also brings new propects through the so-called Isolated Core Excitation (ICE), however autoionization presents a strong limitation to this use. In this study, we propose and demonstrate a new approach to applying a sizable light shift to a Rydberg state with close-to-resonant ICE while avoiding auto-ionization. In particular, we have investigated ICE of ytterbium atoms in $^1S_0$ Rydberg states. Spectroscopic …
An {\it ab initio} relativistic coupled-cluster theory of dipole and quadrupole polarizabilities: Applications to a few alkali atoms and alkaline earth ions
We theoretically investigate zero-temperature magnetic ordering of mixtures of spin-1 (alkali atoms) and spin-0 (alkaline-earth atoms) bosons in a three-dimensional optical lattice. With the single-mode approximation for the spin-1 bosons, we obtain an effective Bose-Hubbard model for describing the heteronuclear mixtures in optical lattices. By controlling the interspecies interactions between alkali and alkaline-earth atoms, we map out complete phase diagrams of the system with both positive and negative spin-dependent interactions for spin-1 atoms, based on bosonic dynamical mean-field theo…
Alkaline-earth-like transition-metal atoms such as Zn and Cd are promising candidates for precision measurements and quantum many-body physics experiments. Here, we theoretically investigate the properties of diatomic molecules containing these closed-shell atoms. We calculate potential energy curves, permanent electric dipole moments, and spectroscopic constants for molecules consisting of either a Zn or Cd atom interacting with an alkali-metal (Li, Na, K, Rb, Cs, Fr) or alkaline-earth-metal (Be, Mg, Ca, Sr, Ba, Ra) atom. We use the ab initio electronic structure coupled cluster method with s…
We demonstrate a compact magneto-optical trap (MOT) of alkaline-earth atoms using a nanofabricated diffraction grating chip. A single input laser beam, resonant with the broad $^1$S$_0\,\rightarrow \,^1$P$_1$ transition of strontium, forms the MOT in combination with three diffracted beams from the grating chip and a magnetic field produced by permanent magnets. A differential pumping tube limits the effect of the heated, effusive source on the background pressure in the trapping region. The system has a total volume of around 2.4 L. With our setup, we have trapped up to $5 \times 10^6$ $^{88}…
Dipole-phonon quantum logic (DPQL) leverages the interaction between polar molecular ions and the motional modes of a trapped-ion Coulomb crystal to provide a potentially scalable route to quantum information science. Here, we study a class of candidate molecular ions for DPQL, the cationic alkaline-earth monoxides and monosulfides, which possess suitable structure for DPQL and can be produced in existing atomic ion experiments with little additional complexity. We present calculations of DPQL operations for one of these molecules, CaO$^+$, and discuss progress towards experimental realization…
We analyze the electric dipole moments (PDMs) and static electric dipole polarizabilities of the alkali--alkaline-earth (Alk-AlkE) dimers by employing finite-field coupled-cluster methods, both in the frameworks of non-relativistic and four-component spinfree relativistic theory. In order to carry out comparative analyses rigorously, we consider those Alk-AlkE molecules made out of the lightest to the medium-heavy constituent atoms (Alk: Li to Rb and AlkE: Be through Sr). We present behaviour of electron correlation effects as well as relativistic effects with the size of the molecules. Uncert…
Diatomic molecular anions of alkali-metal and alkaline-earth-metal atoms
University of Monastir（莫纳斯提尔大学）；University of Warsaw（华沙大学）；University of Sousse（苏塞大学）；Higher Institute of Applied Sciences and Technology of Sousse（苏塞高等应用科学与技术学院）；American University of Ras Al Khaimah（拉斯海马美国大学）
Trapped neutral atoms have become a prominent platform for quantum science, where entanglement fidelity records have been set using highly-excited Rydberg states. However, controlled two-qubit entanglement generation has so far been limited to alkali species, leaving the exploitation of more complex electronic structures as an open frontier that could lead to improved fidelities and fundamentally different applications such as quantum-enhanced optical clocks. Here we demonstrate a novel approach utilizing the two-valence electron structure of individual alkaline-earth Rydberg atoms. We find fi…
我们提出了一个完整的方案，量子信息处理使用碱土金属原子的独特功能。我们展示了如何为$^1$ S $_0$和$^3$ P $_0$态形成两个完全独立的晶格，一个用作核自旋上编码的量子位的存储晶格，另一个用作移动量子位和执行门操作的传输晶格。我们讨论了如何$^3$ P $_2$水平可以用于解决个别量子位，以及如何碰撞损失从亚稳态可以用来执行门通过一个有损封锁机制。
We theoretically characterize interactions, energetics, and chemical reaction paths in ionic two-body and three-body systems of alkali-metal and alkaline-earth-metal atoms in the context of modern experiments with cold hybrid ion-atom mixtures. Using \textit{ab initio} techniques of quantum chemistry such as the coupled-cluster method, we calculate ground-state electronic properties of all diatomic $AB^+$ and most of triatomic $A_2B^+$ molecular ions consisting of Li, Na, K, Rb, Cs, Mg, Ca, Sr, Ba, and Yb atoms. Different geometries and wave-function symmetries of the ground state are found fo…
We theoretically investigate the properties of highly polar diatomic molecules containing $^2S$-state transition-metal atoms. We calculate potential energy curves, permanent electric dipole moments, spectroscopic constants, and leading long-range dispersion-interaction coefficients for molecules consisting of either a Cu or Ag atom interacting with an alkali-metal (Li, Na, K, Rb, Cs, Fr) or alkaline-earth-metal (Be, Mg, Ca, Sr, Ba, Ra) atom. We use ab initio electronic structure methods, such as the coupled cluster and configuration interaction ones, with large Gaussian basis sets and small-co…
