The 6s-np_j (n=6-9) electric-dipole matrix elements and 6s-nd_j (n=5-7) electric-quadrupole matrix elements in Ba+ are calculated using the relativistic all-order method. The resulting values are used to evaluate ground state dipole and quadrupole polarizabilities. In addition, the electric-dipole 6p_j-5d_j' matrix elements and magnetic-dipole 5d_{5/2}-5d_{3/2} matrix element are calculated using the same method in order to determine the lifetimes of the 6p_{1/2}, 6p_{3/2}, 5d_{3/2}, and 5d_{5/2} levels. The accuracy of the 6s-5d_j matrix elements is investigated in detail in order to estimate the uncertainties in the quadrupole polarizability and 5d_j lifetime values. The lifetimes of the 5d states in Ba+ are extremely long making precise experiments very difficult. Our final results for dipole and quadrupole ground state polarizabilities are alpha_{E1} = 124.15 a^3_0 and alpha_{E2} = 4182(34) a^5_0, respectively. The resulting lifetime values are tau(6p_{1/2})=7.83 ns, tau(6p_{3/2})=6.27 ns, tau(5d_{3/2})=81.5(1.2) s, and tau(5d_{5/2})=30.3(4) s. The extensive comparison with other theoretical and experimental values is carried out for both lifetimes and polarizabilities.
The results of ab initio calculation of E1 amplitudes, lifetimes,and polarizabilities for several low-lying levels of ytterbium are reported. The effective Hamiltonian for the valence electrons has been constructed in the frame of CI+MBPT method and solutions of many electron equation are found.
Electric-dipole matrix elements for ns-n'p, nd-n'p, and 6d-4f transitions in Rb are calculated using a relativistic all-order method. A third-order calculation is also carried out for these matrix elements to evaluate the importance of the high-order many-body perturbation theory contributions. The all-order matrix elements are used to evaluate lifetimes of ns and np levels with n=6, 7, 8 and nd levels with n=4, 5, 6 for comparison with experiment and to provide benchmark values for these lifetimes. The dynamic polarizabilities are calculated for ns states of rubidium. The resulting lifetime a…
Electric-dipole matrix elements for 6p-nd, n=5, 6, 7 transitions in cesium are calculated using a relativistic all-order method. The resulting matrix elements are used to evaluate 5d lifetimes and 6p polarizabilities. The data are compared with experimental lifetime and polarizability measurements made by different groups. Domination of the 6p scalar polarizabilities by 5d-6p dipole matrix elements facilitates an exacting consistency check of 5d lifetime and 6p polarizability data. Values of 5d-6p matrix elements obtained from experimental 5d lifetime data are found to be inconsistent with tho…
Energy levels of 30 low-lying states of Lu2+ and allowed electric-dipole matrix elements between these states are evaluated using a relativistic all-order method in which all single, double and partial triple excitations of Dirac-Fock wave functions are included to all orders of perturbation theory. Matrix elements are critically evaluated for their accuracy and recommended values of the matrix elements are given together with uncertainty estimates. Line strengths, transition rates and lifetimes of the metastable 5d(3/2) and 5d(5/2) states are calculated. Recommended values are given for stati…
Relativistic many-body perturbation theory is applied to study properties of ions of the francium isoelectronic sequence. Specifically, energies of the 7s, 7p, 6d, and 5f states of Fr-like ions with nuclear charges Z = 87 - 100 are calculated through third order; reduced matrix elements, oscillator strengths, transition rates, and lifetimes are determined for 7s - 7p, 7p - 6d, and 6d - 5f electric-dipole transitions; and 7s - 6d, 7s - 5f, and 5f_5/2 - 5f_7/2 multipole matrix elements are evaluated to obtain the lifetimes of low-lying excited states. Moreover, for the ions Z = 87 - 92 calculati…
Excitation energies of the ns_{1/2} (n=7-10), np_j (n=7-9), nd_j (n=6-8), nf_{j} (n=5-7), and ng_{j} (n=5-6) states in Th IV are evaluated. First-, second-, third-, and all-order Coulomb energies and first- and second-order Coulomb-Breit energies are calculated. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are determined for the 96 possible nl_j-n'l'_j' electric-dipole transitions. Multipole matrix elements (7s_{1/2}-6d_j, 7s_{1/2}-5f_j, and 5f_{5/2}-5f_{7/2}) are evaluated to obtain the lifetimes of the $5f_{7/2}$ and 7s_{1/2}$ states. Matrix elements are cal…
Using the relativistic coupled-cluster method, we have calculated ionization potentials, E1 matrix elements and dipole polarizabilities of many low-lying states of Ca$^+$. Contributions from the Breit interaction are given explicitly for these properties. Polarizabilities of the ground and the first excited d-states are determined by evaluating the wave functions that are perturbed to first order by the electric dipole operator and the black-body radiation shifts are estimated from these results. We also report the results of branching ratios and lifetimes of the first excited p-states using b…
We have employed the relativistic coupled-cluster theory to calculate the electric dipole matrix elements in the singly ionized barium (Ba$^+$) and radium (Ra$^+$). Matrix elements of Ba$^+$ are used to determine the light-shift ratios for two different wavelengths on which recent experiments are carried out. By combining the measured light-shift ratios and our calculations, we are able to estimate possible errors associate with the used matrix elements in Ba$^+$. Static polarizabilities of the low-lying states and lifetimes of the first excited P-states are also determined using these matrix …
Two different theoretical methods have been used to complete a new calculation of polarizability in the thallium 6p_{1/2}, 7s, and 7p_{1/2} states. The predictions of the two methods agree to within 1% for the 6p_{1/2} and 7s states and 2% for 7p_{1/2} state. We find that the theoretical expression for the 6p_{1/2} - 7s transition polarizability difference is dominated (greater than 90% contribution) by mixing of the 7s state with the 7p_{1/2} and 7p_{3/2} states. By comparing the theoretical expression to an existing Stark shift measurement [Doret et al., Phys. Rev. A 66, 052504 (2002)], new,…
We have investigated energies, magnetic dipole hyperfine structure constants ($A_{hyf}$) and electric dipole (E1) matrix elements of a number of low-lying states of the triply ionized tin (Sn$^{3+}$) by employing relativistic coupled-cluster theory. Contributions from the Breit interaction and lower-order quantum electrodynamics (QED) effects in determination of above quantities are also given explicitly. These higher-order relativistic effects are found to be important for accurate evaluation of energies, while QED contributions are seen to be contributing significantly to the determination o…
Atomic properties of the 24 low-lying ns, np, nd, nf, and ng states in Th IV ion are calculated using the high-precision relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Fock wave functions are included to all orders of perturbation theory. Recommended values are provided for a large number of electric-dipole matrix elements, oscillator strengths, transition rates, and lifetimes. Scalar polarizabilities of the ground and six excited states (5f_j, 6d_j, 7p_j, and 7s), and tensor polarizabilities of the 5f_j, 6d_j, 7p_{3/2} states of Th IV are e…
We evaluate the polarizabilities of the 5p_{1/2}, 6s, 6p_{1/2}, and 6p_{3/2} states of In using two different high-precision relativistic methods: linearized coupled-cluster approach where single, double and partial triple excitations of the Dirac-Fock wave function are included to all orders of perturbation theory and an approach that combines the configuration interaction and the coupled-cluster method. Extensive comparison of the accuracy of these methods is carried out. The uncertainties of all recommended values are evaluated. Our result for the 6s-5p_{1/2} Stark shift is in excellent agr…
Motivated by recent interest in their applications, we report a systematic study of Cs atomic properties calculated by a high-precision relativistic all-order method. Excitation energies, reduced matrix elements, transition rates, and lifetimes are determined for levels with principal quantum numbers $n \leq 12$ and orbital angular momentum quantum numbers $l \leq 3$. Recommended values and estimates of uncertainties are provided for a number of electric-dipole transitions and the electric dipole polarizabilities of the $ns$, $np$, and $nd$ states. We also report a calculation of the electric …
A systematic study of Ca+ atomic properties is carried out using high-precision relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Fock wave functions are included to all orders of perturbation theory. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are determined for the levels up to n = 7. Recommended values and estimates of their uncertainties are provided for a large number of electric-dipole transitions. Electric-dipole scalar polarizabilities for the 5s, 6s, 7s, 8s, 4p, 5p, 3d, and 4d states and tensor polari…
We present revised measurements of the static electric dipole polarizabilities of K, Rb, and Cs based on atom interferometer experiments presented in [Phys. Rev. A 2015, 92, 052513] but now re-analyzed with new calibrations for the magnitude and geometry of the applied electric field gradient. The resulting polarizability values did not change, but the uncertainties were significantly reduced. Then we interpret several measurements of alkali metal atomic polarizabilities in terms of atomic oscillator strengths $f_{ik}$, Einstein coefficients $A_{ik}$, state lifetimes $τ_{k}$, transition dipole…
We present a new theoretical analysis of the strongly suppressed F- and M-dependent Stark shifts of the Cs ground state hyperfine structure. Our treatment uses third order perturbation theory including off-diagonal hyperfine interactions not considered in earlier treatments. A numerical evaluation of the perturbation sum using bound states up to n=200 yields ground state tensor polarizabilities which are in good agreement with experimental values, thereby bridging the 40-year-old gap between experiments and theory. We have further found that the tensor polarizabilities of the two ground state …
We report here oscillator strengths, transition rates, branching ratios and lifetimes due to allowed transitions in potassium (K) atom. We evaluate electric dipole (E1) amplitudes using an all order relativistic many-body perturbation method. The obtained results are compared with previously available experimental and theoretical studies. Using the E1 matrix elements mentioned above and estimated from the lifetimes of the 4P states, we determine precise values of static and dynamic polarizabilities for the first five low-lying states in the considered atom. The static polarizabilities of the g…
We present results of the first-principles calculation of Cs dipole static polarizabilities for the Ns (N = 6 - 12), Np_j (N = 6 - 10), and Nd_j (N = 5 - 10) states using the relativistic all-order method. In our implementation of the all-order method, single and double excitations of Dirac-Fock wave functions are included to all orders in perturbation theory. Additional calculations are carried out for the dominant terms and the uncertainties of our final values are estimated for all states. A comprehensive review of the existing theoretical and experimental studies of the Cs polarizabilities…
We report measurements of the $^{115}$In $7p_{1/2}$ and $7p_{3/2}$ scalar and tensor polarizabilities using two-step diode laser spectroscopy in an atomic beam. The scalar polarizabilities are one to two orders of magnitude larger than for lower lying indium states due to the close proximity of the $7p$ and $6d$ states. For the scalar polarizabilities, we find values (in atomic units) of $1.811(4) \times 10^5$ $a_0^3$ and $2.876(6) \times 10^5$ $a_0^3$ for the $7p_{1/2}$ and $7p_{3/2}$ states respectively. We estimate the smaller tensor polarizability component of the $7p_{3/2}$ state to be $-…
The progress in optical clock with uncertainty at a level of $10^{-18}$ requires unprecedented precision in estimating the contribution of multipolar and higher-order effects of atom-field interactions. Current theoretical and experimental results of dynamic multipolar polarizabilities and hyperpolarizabilities at the magic wavelength for the Sr clock differ substantially. We develop a combined approach of the Dirac-Fock plus core polarization (DFCP) and relativistic configuration interaction (RCI) methods to calculate dynamic multipolar polarizabilities and hyperpolarizabilities of the Sr ato…
We study the cancellation of differential ac Stark shifts in the 5s and 5p states of rubidium atom using the linearly and circularly polarized lights by calculating their dynamic polarizabilities. Matrix elements were calculated using a relativistic coupled-cluster method at the single, double and important valence triple excitations approximation including all possible non-linear correlation terms. Some of the important matrix elements were further optimized using the experimental results available for the lifetimes and static polarizabilities of atomic states. "Magic wavelengths" are determi…
We measure the lifetime of the cesium $5^2D_{5/2}$ state using a time-resolved single-photon-counting method. We excite atoms in a hot vapor cell via an electric quadrupole transition at a wavelength of $685\,\mathrm{nm}$ and record the fluorescence of a cascade decay at a wavelength of $852\,\mathrm{nm}$. We extract a lifetime of $1353(5)\,\mathrm{ns}$ for the $5^2D_{5/2}$ state, in agreement with a recent theoretical prediction. In particular, the observed lifetime is consistent with the literature values of the polarizabilities of the cesium $6P$ states. Our measurement contributes to resol…
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…
We present an experimental and theoretical investigation of the polarizabilities and hyperfine constants of D_J states in 133Cs for J=3/2 and J=5/2. New experimental values for the hyperfine constant A are obtained from level-crossing signals of the (7,9,10)D_5/2 states of 133Cs and precise calculations of the tensor polarizabilities alpha_2. The results of relativistic many-body calculations for scalar and tensor polarizabilities of the (5-10)D_3/2 and (5-10)D_5/2 states are presented and compared with measured values from the literature. Calculated values of the hyperfine constants A for the…
Experimental and theoretical study of dynamic polarizabilities in the $5S_{1/2}$-$5D_{5/2}$ clock transition in rubidium-87 and determination of E1 matrix elements
We analyze the molecular electric dipole moments (PDMs) and static electric dipole polarizabilities of heteronuclear alkali dimers in their ground states by employing coupled-cluster theory, both in the non-relativistic and four-component relativistic frameworks. The roles of electron correlations as well as relativistic effects are demonstrated by studying them at different levels of theory, followed by a comprehensive treatment of error estimates. We compare our obtained values with the previous non-relativistic calculations, some of which include lower-order relativistic corrections, as wel…
An atom exposed to an electric field will experience Stark shifts of its internal energy levels, proportional to their polarizabilities. In optical frequency metrology, the Stark shift due to background black-body radiation (BBR) modifies the frequency of the optical clock transition, and often represents a large contribution to a clock's uncertainty budget. For clocks based on singly-ionized ytterbium, the ion's complex structure makes this shift difficult to calculate theoretically. We present a measurement of the differential polarizabilities of two ultra-narrow optical clock transitions pr…
We present precise values of electric polarizabilities for the ground state of Zn due to second-order dipole and quadrupole interactions, and due to third-order dipole-quadrupole interactions. These quantities are evaluated in the linear response theory framework by employing a relativistic version of the normal coupled-cluster (NCC) method. The calculated dipole polarizability value is compared with available experimental and other theoretical results including those are obtained using the ordinary coupled-cluster (CC) methods in both finite-field and expectation value evaluation approaches. …
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…
We demonstrate magic wavelengths, at which external electric field produces null differential Stark shifts, for the $6s ~ {^2}S_{1/2}-6p ~ {^2}P_{1/2,3/2}$ transitions in the Cs atom due to circularly polarized light. In addition, we also obtain magic wavelengths using linearly polarized light, in order to verify the previously reported values, and make a comparative study with the values obtained for circularly polarized light. A number of these wavelengths are found to be in the optical region and could be of immense interest to experimentalists for carrying out high precision measurements. …
We present experimental atomic lifetimes for 12 levels in Sb I, out of which seven are reported for the first time. The levels belong to the 5p$^2$($^3$P)6s $^{2}$P, $^{4}$P and 5p$^2$($^3$P)5d $^{4}$P, $^{4}$F and $^{2}$F terms. The lifetimes were measured using time-resolved laser-induced fluorescence. In addition, we report new calculations of transition probabilities in Sb I using a Multiconfigurational Dirac-Hartree-Fock method. The physical model being tested through comparisons between theoretical and experimental lifetimes for 5d and 6s levels. The lifetimes of the 5d $^4$F$_{3/2, 5/2,…
Recently the lifetime of the excited $^{2}P_{1/2}$-state of S$^-$ was measured to be $503\pm 54$ s (Bäckström et al. Phys. Rev. Lett. 114, 143003 (2015)). The earlier theoretical lifetime of $436$ s was clearly outside the experimental error bars. To investigate this discrepancy we have performed systematic and large-scale multiconfiguration Dirac-Hartree-Fock calculations for this system. After including a careful treatment of correlation and relativistic effects, we predict a well-converged value of $492$ s for this lifetime, with an uncertainty considerably less than 1%, thereby removing th…
The atomic states of the W IX (W8+) tungsten ion lying below the W9+ ionisation threshold have been studied theoretically, employing the multiconfiguration Dirac-Hartree-Fock method with configuration interaction. The level electronic structures and their energies are presented. The electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) radiative transitions have been computed in order to calculate the radiative lifetimes of given states. Transition wavelengths, energies, and decay rates are also presented for selected high-intensity E1 transitions. …
The lifetimes of the $6d \ ^2D_{3/2}$ and $6d \ ^2D_{5/2}$ states in Fr are estimated to be 540(10) ns and 1704(32) ns respectively. They are determined by calculating the radiative transition amplitudes of the allowed electric dipole (E1) and the forbidden electric quadrupole (E2) and magnetic dipole (M1) channels using the second order many-body perturbation theory (MBPT(2)) and the coupled-cluster (CC) method at different levels of approximation in the relativistic framework. These long lifetimes and the large electric dipole parity non conserving amplitudes of $7s \ ^2S_{1/2} \rightarrow 6…
A procedure is described for the precise nonrelativistic evaluation of the dipole polarizabilities of H_2^+ and D_2^+ that avoids any approximation based on the size of the electron mass relative to the nucleus mass. The procedure is constructed so that sum rules may be used to assess the accuracy of the calculation. The resulting polarizabilities are consistent with experiment within the error bars of the measurements and are far more precise than values obtained by other theoretical methods.
Long ground-Rydberg coherence lifetime is interesting for implementing high-fidelity quantum logic gates, many-body physics, and other quantum information protocols. However, the potential formed by a conventional far-off-resonance red-detuned optical-dipole trap (ODT) is usually repulsive for Rydberg atoms, which will result in fast atom loss and low repetition rate of the experimental sequence. These issues can be addressed by a magic ODT. We performed the calculation of ODT's magic detuning for confinement of cesium ground state and Rydberg state with the same potential well. We used a sum-…
The study of long-range interactions is increasingly becoming essential due to its various applications in cold atomic physics. These interactions can be conveniently expressed in terms of dispersion coefficients. In the present work, theoretical calculations have been carried out to estimate the two-dipole ($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…
Lifetimes of the first two metastable states in Sc^{2+} and Y^{2+} are determined using the relativistic coupled-cluster theory. There is a considerable interest in studying the electron correlation effects in these ions as though their electronic configurations are similar to the neutral alkali atoms, their structures are very different from the latter. We have made a comparative study of the correlation trends between the above doubly ionized systems with their corresponding neutral and singly ionized iso-electronic systems. The lifetimes of the excited states of these ions are very importan…
We report measurements of the lifetimes of the 3d $^2$D$_{5/2}$ and 3d $^2$D$_{3/2}$ metastable states of a single laser-cooled $^{40}$Ca$^+$ ion in a linear Paul trap. We introduce a new measurement technique based on high-efficiency quantum state detection after coherent excitation to the D$_{5/2}$ state or incoherent shelving in the D$_{3/2}$ state, and subsequent free, unperturbed spontaneous decay. The result for the natural lifetime of the D$_{5/2}$ state of 1168(9) ms agrees excellently with the most precise published value. The lifetime of the D$_{3/2}$ state is measured with a single …
The astrophysically important electric quadrupole (E2) and magnetic dipole (M1) transitions for the low-lying states of triply ionized titanium (Ti IV) are calculated very accurately using a state-of-art all-order many-body theory called Coupled Cluster (CC) theory in the relativistic frame-work. Different many-body correlations of the CC theory has been estimated by studying the core and valence electron excitations to the unoccupied states. The calculated excitation energies of different states are in very good agreement with the measurements. Also we compare our calculated electric dipole (…
Tiny radiative losses below the 0.1% level can prove ruinous to the effective laser cooling of a molecule. In this paper the laser cooling of a hydride is studied with rovibronic detail using ab initio quantum chemistry in order to document the decays to all possible electronic states (not just the vibrational branching within a single electronic transition) and to identify the most populated final quantum states. The effect of spin-orbit and associated couplings on the properties of the lowest excited states of BaH are analysed in detail. The lifetimes of the A$^2Π_{1/2}$, H$^2Δ_{3/2}$ and E$…
The perturbed relativistic coupled-cluster (PRCC) theory is applied to calculate the electric dipole polarizabilities of alkaline Earth metal atoms. The Dirac-Coulomb-Breit atomic Hamiltonian is used and we include the triple excitations in the relativistic coupled-cluster (RCC) theory. The theoretical issues related to the triple excitation cluster operators are described in detail and we also provide details on the computational implementation. The PRCC theory results are in good agreement with the experimental and previous theoretical results. We, then, highlight the importance of consideri…
We find very good agreement between our theoretically evaluated lifetimes of the $5d \ ^2D_{3/2}$ and $5d \ ^2D_{5/2}$ states of Cs with the experimental values reported in [Phys. Rev. A {\bf 57}, 4204 (1998)], which were earlier evinced to be disagreeing with an earlier rigorous theoretical study [Phys. Rev. A {\bf 69}, 040501(R) (2004)] and with another precise measurement [Opt. Lett. {\bf 21}, 74 (1996)]. In this work, we have carried out calculations of the radiative transition matrix elements using many variants of relativistic many-body methods, mainly in the coupled-cluster theory frame…
