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We calculate and measure the magic wavelengths for the $6s^2{}\,^1S_0-6s6p\,{}^3P_1$ intercombination transition of the neutral ytterbium atom. The calculation is performed with the \textit{ab initio} configuration interaction (CI) + all-order method. The measurement is done with laser spectroscopy on cold atoms in an optical dipole trap. The magic wavelengths are determined to be 1035.68(4) nm for the $\pi$ transition ($\Delta m = 0$) and 1036.12(3) nm for the $\sigma$ transitions ($|\Delta m| = 1$) in agreement with the calculated values. Laser cooling on the narrow intercombination transition could achieve better results for atoms in an optical dipole trap when the trap wavelength is tuned to near the magic wavelength.

Recent experimental progress in cooling, trapping, and quantum logic spectroscopy of highly-charged ions (HCIs) made HCIs accessible for high resolution spectroscopy and precision fundamental studies. Based on these achievements, we explore a possibility to develop optical clocks using transitions between the ground and a low-lying excited state in the Cf$^{15+}$ and Cf$^{17+}$ ions. Using a high-accuracy relativistic method of calculation we predicted the wavelengths of clock transitions, calculated relevant atomic properties, and analyzed a number of systematic effects (such as the electric quadrupole-, micromotion-, and quadratic Zeeman shifts of the clock transitions) that affect the accuracy and stability of the optical clocks. We also calculated magnetic dipole hyperfine-structure constants of the clock states and the blackbody radiation shifts of the clock transitions., Comment: 9 pages, 2 figures

Advances in laser spectroscopy of superheavy ($Z>100$) elements enabled determination of the nuclear moments of the heaviest nuclei, which requires high-precision atomic calculations of the relevant hyperfine structure (HFS) constants. Here, we calculated the HFS constants and energy levels for a number of nobelium (Z=102) states using the hybrid approach, combining linearized coupled-cluster and configuration interaction methods. We also carried out an extensive study of the No energies using 16-electron configuration interaction method to determine the position of the (5f^{13}7s^2 6d) and (5f^{13}7s^2 7p) levels with a hole in the 5f shell to evaluate their potential effect on the hyperfine structure calculations of the low-lying (5f^{14}7s6d) and (5f^{14}7s7p) levels. We find that unlike the case of Yb, the mixing of the low-lying levels with filled and unfilled f shell is small and does not significantly influence their properties. The resulting HFS constants for the 5f^{14}7s7p 1P1 level, combined with laser-spectroscopy measurement, were used to extract nobelium nuclear properties [S. Raeder et al., Phys. Rev. Lett. 120, 232503 (2018)], Comment: 5 pages

The singly-ionized lutetium has a number of fortuitous properties well suited for a design of an optical clock and corresponding applications. In this work, we study Lu+ properties relevant to a development of the clock using the relativistic high-precision method combining configuration interaction and the linearized coupled-cluster approaches. The systematic effects due to interaction of an external electric-field gradient with the quadrupole moment and the dynamic correction to the blackbody radiation shift are studied and uncertainties are estimated. The value of the 5d6s 1D_2 polarizability is predicted. We also demonstrate that Lu+ is a good candidate to search for variation of the fine-structure constant., Comment: Section devoted to calculation of q and Q factors was revised. Misprints and inconsistency in determining the sign of the q and Q factors were corrected

We study the effects of higher-order electronic correlations in the systems with particle-hole excited states using a relativistic hybrid method that combines configuration interaction and linearized coupled-cluster approaches. We find the configuration interaction part of the calculation sufficiently complete for eight electrons while maintaining good quality of the effective coupled-cluster potential for the core. Excellent agreement with experiment was demonstrated for a test case of La$^{3+}$. We apply our method for homologue actinide ions Th$^{4+}$ and U$^{6+}$ which are of experimental interest due to a puzzle associated with the resonant excitation Stark ionization spectroscopy (RESIS) method. These ions are also of interest to actinide chemistry and this is the first precision calculation of their atomic properties., Comment: 5 pages

Experiments with antihydrogen ($\overline{\text{H}}$) for a study of matter--antimatter symmetry and antimatter gravity require ultracold $\overline{\text{H}}$ to reach ultimate precision. A promising path towards anti-atoms much colder than a few kelvin involves the pre-cooling of antiprotons by laser-cooled anions. Due to the weak binding of the valence electron in anions - dominated by polarization and correlation effects - only few candidate systems with suitable transitions exist. We report on a combination of experimental and theoretical studies to fully determine the relevant binding energies, transition rates and branching ratios of the most promising candidate La$^{-}$. Using combined transverse and collinear laser spectroscopy, we determined the resonant frequency of the laser cooling transition to be $\nu = 96.592\,713(91)$ THz and its transition rate to be $A = 4.90(50) \times 10^{4}$ s$^{-1}$. Using a novel high-precision theoretical treatment of La$^-$ we calculated yet unmeasured energy levels, transition rates, branching ratios, and lifetimes to complement experimental information on the laser cooling cycle of La$^-$. The new data establish the suitability of La$^-$ for laser cooling and show that the cooling transition is significantly stronger than suggested by a previous theoretical study., Comment: 5 pages, 4 figures

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 $-1.43(18) \times 10^4$ $a_0^3$. These measurements represent the first high-precision benchmarks of transition properties of such high excited states of trivalent atomic systems. We also present new ab initio calculations of these quantities and other In polarizabilities using two high-precision relativistic methods to make a global comparison of the accuracies of the two approaches. The precision of the experiment is sufficient to differentiate between the two theoretical methods as well as to allow precise determination of the indium $7p-6d$ matrix elements. The results obtained in this work are applicable to other heavier and more complicated systems, and provide much needed guidance for the development of even more precise theoretical approaches., Comment: 12 pages, 8 figures corrected two typos in version 2

We address the problem of the lattice Stark shifts in the Sr clock caused by the multipolar $M1$ and $E2$ atom-field interactions and by the term nonlinear in lattice intensity and determined by the hyperpolarizability. We have developed an approach to calculate hyperpolarizabilities for atoms and ions based on a solution of the inhomogeneous equation which allows to effectively and accurately carry out complete summations over intermediate states. We applied our method to the calculation of the hyperpolarizabilities for the clock states in Sr. We also carried out an accurate calculation of the multipolar polarizabilities for these states at the magic frequency. Understanding these Stark shifts in optical lattice clocks is crucial for further improvement of the clock accuracy., Comment: 5 pages

Energy levels, wavelengths, magnetic-dipole and electric-quadrupole transition rates between the low-lying states are evaluated for W$^{51+}$ to W$^{54+}$ ions with $3d^n$ (n = 2 to 5) electronic configurations using an approach combining configuration interaction with linearized coupled-cluster single-double method. The QED corrections are directly incorporated into the calculations and their effect is studied in detail. Uncertainties of the calculations are discussed. This first study of such highly charged ions with the present method opens the way for future applications allowing an accurate prediction of properties for a very wide range of highly charged ions aimed at providing precision benchmarks for various applications., Comment: 11 pages

We calculate the g-factor of the 6s6p 3P0 state of 199 and 201 mercury isotopes using a relativistic high-precision all-order method that combines the configuration interaction and the coupled-cluster approaches. Our values $g(199Hg) = -0.9485(49)*10^{-3}$ and $g(201Hg) = -0.3504(18)*10^{-3}$ are in agreement with the experimental measurements within the 0.5% theoretical uncertainty. We also calculate the hyperfine quenching rate of the 6s6p 3P0 state in 199Hg and 201Hg and determine its lifetime to be 1.3 and 1.9 s, respectively., Comment: 6 pages, the text was slightly revised and noted misprints were corrected

We carried out a systematic high-precision relativistic study of the forbidden magnetic-dipole and electric-quadrupole transitions in Ca+, Rb, Sr+, Cs, Ba+, Fr, Ra+, Ac2+, and Th3+. This work is motivated by the importance of these transitions for tests of fundamental physics and precision measurements. The relative importance of the relativistic, correlation, Breit correction, and contributions of negative-energy states is investigated. Recommended values of reduced matrix elements are presented together with their uncertainties. The matrix elements and resulting lifetimes are compared with other theoretical values and with experiment where available., Comment: 9 pages, 6 tables

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 static polarizabilities of the 6s, 5d and 6p states and tensor polarizabilities of the 5d and 6p(3/2) states. Uncertainties of the polarizability values are estimated in all cases. The blackbody radiation shift of the 6s(1/2)-5d(5/2) transition frequency of the Lu2+ ion is calculated with the aid of the recommended scalar polarizabilities of the 6s(1/2) and 5d(5/2) states. Finally, A and B hyperfine constants are determined for states of 175Lu2+ with n <= 9. This work provides recommended values of transition matrix elements, polarizabilities and hyperfine constants of Lu2+, critically evaluated for accuracy, for benchmark tests of high-precision theoretical methodology and planning of future experiments., Comment: 9 pages, 10 tables

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 quadrupole polarizability of the ground state. We display the dynamic polarizabilities of the $6s$ and $7p$ states for optical wavelengths between 1160 nm and 1800 nm and identify corresponding magic wavelengths for the $6s-7p_{1/2}$, $6s-7p_{3/2}$ transitions. The values of relevant matrix elements needed for polarizability calculations at other wavelengths are provided., Comment: 10 pages, 6 figures

Singly ionised Lutetium has recently been suggested as a potential clock candidate. Here we report a joint experimental and theoretical investigation of \ce{Lu^+}. Measurements relevant to practical clock operation are made and compared to atomic structure calculations. Calculations of scalar and tensor polarizabilities for clock states over a range of wavelengths are also given. These results will be useful for future work with this clock candidate., Comment: 12 pages, 5 figures

Testing the spatial variation of fine-structure constant $\alpha$ indicated in [Webb et al., Phys. Rev. Lett. 107, 191101 (2011)] with terrestrial laboratory atomic measurements requires at least $\dot{\alpha}/\alpha \sim 10^{-19}~\textrm{y}^{-1}$ sensitivity. We conduct a systematic search of atomic systems for such a test that have all features of the best optical clock transitions leading to possibility of the frequency measurements with fractional accuracy on the level of $10^{-18}$ or better and have a factor of 100 extra enhancement of $\alpha$-variation in comparisons to experimental frequency ratio measurement accuracy. We identify the pair of actinide Cf$^{15+}$ and Es$^{16+}$ ions as the best system for a test of spatial $\alpha-$variation hypothesis as it satisfies both of these requirements and have sufficiently simple electronic structure to allow for high-precision predictions of all atomic properties required for rapid experimental progress., Comment: 5 pages, 2 figures

We optically excite the electronic state $3s3p~^3P_{0}$ in $^{24}$Mg atoms, laser-cooled and trapped in a magic-wavelength lattice. An applied magnetic field enhances the coupling of the light to the otherwise strictly forbidden transition. We determine the magic wavelength, the quadratic magnetic Zeeman shift and the transition frequency to be 468.463(207)$\,$nm, -206.6(2.0)$\,$MHz/T$^2$ and 655 058 646 691(101)$\,$kHz, respectively. These are compared with theoretical predictions and results from complementary experiments. We also developed a high-precision relativistic structure model for magnesium, give an improved theoretical value for the blackbody radiation shift and discuss a clock based on bosonic magnesium., Comment: 5 pages, 3 figures

We predict a sequence of magic-zero wavelengths for the Sr excited $5s5p~ ^3P_0$ state, and provide a general roadmap for extracting transition matrix elements using precise frequency measurements. We demonstrate that such measurements can serve as a best global benchmark of the spectroscopic accuracy that is required for the development of high-precision predictive methods. These magic-zero wavelengths are also needed for state-selective atom manipulation for implementation of quantum logic operations. We also identify five magic wavelengths of the $5s^2\ ^1S_0 - 5s5p\ ^3P_0$ Sr clock transition between 350 nm and 500 nm which can also serve as precision benchmarks., Comment: 6 pages, 2 figures

Iridium ions near $4f$-$5s$ level crossings are the leading candidates for a new type of atomic clocks with a high projected accuracy and a very high sensitivity to the temporal variation of the fine structure constant $\alpha$. To identify spectra of these ions in experiment accurate calculations of the spectra and electromagnetic transition probabilities should be performed. Properties of the $4f$-core-excited states in Ir$^{16+}$, Ir$^{17+}$, and Ir$^{18+}$ ions are evaluated using relativistic many-body perturbation theory and Hartree-Fock-Relativistic method (COWAN code). We evaluate excitation energies, wavelengths, oscillator strengths, and transition rates. Our large-scale calculations includes the following set of configurations: $4f^{14-k}5s^{m}5p^{n}$ with $(k+m+n)$ equal to 3, 2, and 1 for the Ir$^{16+}$, Ir$^{17+}$, and Ir$^{18+}$ ions, respectively. The $5s-5p$ transitions are illustrated by the synthetic spectra in the 180 - 200 \AA range. Large contributions of magnetic-dipole transitions to lifetimes of low-lying states in the region below 2.5 Ry are demonstrated., Comment: 10 pages

Magic wavelengths, for which there is no differential ac Stark shift for the ground and excited state of the atom, allow trapping of excited Rydberg atoms without broadening the optical transition. This is an important tool for implementing quantum gates and other quantum information protocols with Rydberg atoms, and reliable theoretical methods to find such magic wavelengths are thus extremely useful. We use a high-precision all-order method to calculate magic wavelengths for the $5s-18s$ transition of rubidium, and compare the calculation to experiment by measuring the light shift for atoms held in an optical dipole trap at a range of wavelengths near a calculated magic value.

A high-precision relativistic calculations of Cd-like Nd$^{12+}$, Sm$^{14+}$ and Sn-like Pr$^{9+}$, Nd$^{10+}$ atomic properties is carried out using an approach that combines configuration interaction and a linearized coupled-cluster method. These ions have long-lived metastable states with transitions accessible by laser excitations, relatively simple electronic structure, high sensitivity to $\alpha$ variation, and stable isotopes. Breit and QED corrections were included into the calculations. Energies, transition wavelengths, electric- and magnetic-multipole reduced matrix elements, lifetimes, and sensitivity coefficients $q$ and $K$ to the variation of the fine-structure constant $\alpha$ were obtained. A detailed study of uncertainties was performed. Energies for similar Cd-like Ba$^{8+}$, La$^{9+}$, Ce$^{10+}$, Pr$^{11+}$ and Sn-like Ba$^{6+}$ ions were calculated and compared with experiment for further tests of the accuracy., Comment: 13 pages. arXiv admin note: text overlap with arXiv:1407.8272

Excitation energies, term designations, and $g$-factors of Th, Th$^{+}$ and Th$^{2+}$ are determined using a relativistic hybrid configuration interaction (CI) + all-order approach that combines configuration interaction and linearized coupled-cluster methods. The results are compared with other theory and experiment where available. We find some "vanishing" $g$-factors, similar to those known in lanthanide spectra. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are determined for Th$^{2+}$. To estimate the uncertainties of our results, we compared our values with the available experimental lifetimes for higher $5f7p\ ^3G_{4}$, $7s7p\ ^3P_{0}$, $7s7p\ ^3P_{1}$, and $6d7p\ ^3F_{4}$ levels of Th$^{2+}$. These calculations provide a benchmark test of the CI+all-order method for heavy systems with several valence electrons and yield recommended values for transition rates and lifetimes of Th$^{2+}$., Comment: 13 pages

We carried out detailed high-precision study of Ag-like Nd$^{13+}$, Sm$^{15+}$ and In-like Ce$^{9+}$, Pr$^{10+}$, Nd$^{11+}$, Sm$^{13+}$, Eu$^{14+}$ highly-charged ions. These ions were identified to be of particular interest to the development of ultra-accurate atomic clocks, search for variation of the fine-structure constant $\alpha$, and quantum information [Safronova et. al. Phys. Rev. Lett. 113, 030801 (2014)]. Relativistic linearized coupled-cluster method was used for Ag-like ion calculations, and a hybrid approach that combines configuration interaction and a variant of the coupled-cluster method was used for the In-like ion calculations. Breit and QED corrections were included. Energies, transition wavelengths, electric-dipole, electric-quadrupole, electric-octupole, magnetic-dipole, magnetic-quadrupole, magnetic-octupole reduced matrix elements, lifetimes, and sensitivity coefficients to $\alpha$-variation were calculated. Detailed study of various contributions was carried out to evaluate uncertainties of the final results. Energies for several similar "reference" ions, where the experimental values are available were calculated and compared with experiment for further tests of the accuracy., Comment: 13 pages, 2 figures

The combination of the configuration interaction method and all-order single-double coupled-cluster technique is used to calculate excitation energies, ionization potentials and static dipole polarizabilities of superheavy elements nobelium, lawrencium and rutherfordium. Breit and quantum electrodynamic corrections are also included. The results for the superheavy elements are compared with earlier calculations where available. Similar calculations for lighter analogs, ytterbium, lutetium, and hafnium are used to study the accuracy of the calculations. The estimated uncertainties of the final results are discussed., Comment: 9 pages, 9 tables, no figures

We propose 10 highly-charged ions as candidates for the development of next generation atomic clocks, quantum information, and search for $\alpha$-variation. They have long-lived metastable states with transition frequencies to the ground state between 170-3000 nm, relatively simple electronic structure, stable isotopes and high sensitivity to $\alpha$-variation (e.g., Sm$^{14+}$, Pr$^{10+}$, Sm$^{13+}$, Nd$^{10+}$). We predict their properties crucial for the experimental exploration and highlight particularly attractive systems for these applications.

We calculate the A and B hyperfine constants for the low-lying states of 229Th3+ using a high-precision relativistic all-order approach. By combining these calculations with measurements of the 6d and 5f hyperfine constants [C. J. Campbell et al., Phys. Rev. Lett. 106, 223001 (2011)], we determine the magnetic dipole \mu=0.360(7)\mu_B and the electric-quadrupole Q=3.11(6) eb moments of the 229Th nucleus. Our value for \mu is five times more accurate and is 22% smaller than the best previous value \mu=0.46(4) \mu_B [S. Gerstenkorn et al., J. Phys. (Paris) 35, 483 (1974)], while our value for Q is the same, but 2.5 times more accurate than the 2011 result. A systematic study of hyperfine structure in eight other monovalent atoms supports our claim of 2% level uncertainty for $\mu$ and Q in 229Th+3., Comment: 5 pages

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 evaluated. The uncertainties of the recommended values are estimated. These calculations provide recommended values critically evaluated for their accuracy for a number of Th IV atomic properties for use in theoretical modeling as well as planning and analysis of various experiments including development of ultra precise nuclear clock and RESIS studies of actinide ions, Comment: 11 pages

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 agreement with the recent measurement [Ranjit et al., arXiv:1302.0821v1]. Combining our calculation with this precision measurement allows us to infer the values of the 6p_{1/2} and 6p_{3/2} lifetimes in In with 0.8% accuracy. Our predictions for the 6p_{3/2} scalar and tensor polarizabilities may be combined with the future measurement of the 6s-6p_{3/2} Stark shift to accurately determine the lifetimes of the 5d_j states., Comment: 8 pages

We carry out a systematic study of the static and dynamic polarizabilities of the potassium atom using a first-principles high-precision relativistic all-order method in which 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. Static polarizabilities of the 4s, 4p_j, 5s, 5p_j, and 3d_j states are compared with other theory and experiment where available. We use the results of the polarizability calculations to identify magic wavelengths for the 4s-np transitions for $n = 4, 5$, i.e. those wavelengths for which the two levels have the same ac Stark shifts. These facilitate state-insensitive optical cooling and trapping. The magic wavelengths for the $4s-5p$ transitions are of particular interest for attaining a quantum gas of potassium at high phase-space density. We find 20 such wavelengths in the technically interest region of 1050-1130 nm. Uncertainties of all recommended values are estimated., Comment: 9 pages, 4 figures. arXiv admin note: text overlap with arXiv:1206.7115

We evaluated the static and dynamic polarizabilities of the 5s^2 ^1S_0 and 5s5p ^3P_0^o states of Sr using the high-precision relativistic configuration interaction + all-order method. Our calculation explains the discrepancy between the recent experimental 5s^2 ^1S_0 - 5s5p ^3P_0^o dc Stark shift measurement \Delta \alpha = 247.374(7) a.u. [Middelmann et. al, arXiv:1208.2848 (2012)] and the earlier theoretical result of 261(4) a.u. [Porsev and Derevianko, Phys. Rev. A 74, 020502R (2006)]. Our present value of 247.5 a.u. is in excellent agreement with the experimental result. We also evaluated the dynamic correction to the BBR shift with 1 % uncertainty; -0.1492(16) Hz. The dynamic correction to the BBR shift is unusually large in the case of Sr (7 %) and it enters significantly into the uncertainty budget of the Sr optical lattice clock. We suggest future experiments that could further reduce the present uncertainties., Comment: 9 pages

Using first-principles calculations, we identify magic wavelengths for the 2s-2p and 2s-3p transitions in lithium. The ns and np atomic levels have the same ac Stark shifts at the corresponding magic wavelength, which facilitates state-insensitive optical cooling and trapping. Tune-out wavelengths for which the ground-state frequency-dependent polarizability vanishes are also calculated. Differences of these wavelengths between 6Li and 7Li are reported. Our approach uses high-precision, relativistic all-order methods in which 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 Li electric-dipole matrix elements. Static polarizabilities for the 2s, 2p, 3s, 3p, and 3d levels are compared with other theory and experiment where available. Uncertainties of all recommended values are estimated. The magic wavelengths for the uv 2s-3p transition are of particular interest for the production of a quantum gas of lithium [Duarte et al., Phys. Rev. A 84, 061406R (2011)]., Comment: 7 pages, 5 figures

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 polarizabilities for the 4p, 5p, 3d, and 4d states in Ca+ are calculated. Methods are developed to accurately treat the contributions from highly-excited states, resulting in significant (factor of 3) improvement in accuracy of the 3d_{5/2} static polarizability value, 31.8(3) a.u., in comparison with the previous calculation [Arora et al., Phys. Rev. A 76, 064501 (2007)]. The blackbody radiation (BBR) shift of the 4s - 3d_{5/2} clock transition in Ca+ is calculated to be 0.381(4) Hz at room temperature, T=300K. Electric-quadrupole 4s -nd and electric-octupole 4s -nf matrix elements are calculated to obtain the ground state multipole E2 and E3 static polarizabilities. The hyperfine constants A are determined for the low-lying levels up to n = 7. The quadratic Stark effect on hyperfine structure levels of 43Ca+ ground state is investigated. These calculations provide recommended values critically evaluated for their accuracy for a number of Ca+ atomic properties for use in planning and analysis of various experiments as well as theoretical modeling., Comment: 18 pages

The operation of atomic clocks is generally carried out at room temperature, whereas the definition of the second refers to the clock transition in an atom at absolute zero. This implies that the clock transition frequency should be corrected in practice for the effect of finite temperature of which the leading contributor is the blackbody radiation (BBR) shift. Experimental measurements of the BBR shifts are difficult. In this work, we have calculated the blackbody radiation shift of the ground-state hyperfine microwave transition in 87Rb using the relativistic all-order method and carried out detailed evaluation of the accuracy of our final value. Particular care is taken to accurately account for the contributions from highly-excited states. Our predicted value for the Stark coefficient, k_S=-1.240(4)\times 10^{-10}\text{Hz/(V/m)}^{2} is three times more accurate than the previous calculation [1]., Comment: 7 pages

We have calculated parity nonconserving 7s - 6d_{3/2} amplitude E_PNC in 223Ra+ using high-precision relativistic all-order method where all single and double excitations of the Dirac-Fock wave functions are included to all orders of perturbation theory. Detailed study of the uncertainty of the parity nonconserving (PNC) amplitude is carried out; additional calculations are performed to estimate some of the missing correlation corrections. A systematic study of the parity conserving atomic properties, including the calculation of the energies, transition matrix elements, lifetimes, hyperfine constants, quadrupole moments of the 6d states, as well as dipole and quadrupole ground state polarizabilities, is carried out. The results are compared with other theoretical calculations and available experimental values., Comment: 10 pages

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 calculations are also carried out using the relativistic all-order single-double method, in which single and double excitations of Dirac-Fock wave functions are included to all orders in perturbation theory. With the aid of the SD wave functions, we obtain accurate values of energies, transition rates, oscillator strengths, and the lifetimes of these six ions. Ground state scalar polarizabilities in Fr I, Ra II, Ac III, and Th IV are calculated using relativistic third-order and all-order methods. Ground state scalar polarizabilities for other Fr-like ions are calculated using a relativistic second-order method. These calculations provide a theoretical benchmark for comparison with experiment and theory., Comment: 13 figures, 11 tables

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 is also carried out. Our results are compared with other values where they are available. These calculations provide a theoretical benchmark for a large number of Cs polarizabilities., Comment: 19 pages

We use all-order relativistic many-body perturbation theory to study 5s^2 nl configurations of In I and Sn II. Energies, E1-amplitudes, and hyperfine constants are calculated using all-order method, which accounts for single and double excitations of the Dirac-Fock wave functions., Comment: 10 pages, accepted to PRA; v2: Introduction changed, references added

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 these states are also presented and checked for consistency with experimental values., Comment: 12 pages, revtex4, 11 figure files

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 calculated using both relativistic many-body perturbation theory, complete through third order, and a relativistic all-order method restricted to single and double (SD) excitations. Scalar and tensor polarizabilities for the 5f_{5/2} ground state in Th3+ are calculated using relativistic third-order and all-order methods. These calculations provide a theoretical benchmark for comparison with experiment and theory., Comment: 9 pages, 9 figures

Black-body radiation (BBR) shift is an important systematic correction for the atomic frequency standards realizing the SI unit of time. Presently, there is a controversy over the value of the BBR shift for the primary $^{133}$Cs standard. At room temperatures the values from various groups differ at $3 \times 10^{-15}$ level, while the modern clocks are aiming at $10^{-16}$ accuracies. We carry out high-precision relativistic many-body calculations of the BBR shift. For the BBR coefficient $\beta$ at $T=300K$ we obtain $\beta=-(1.708\pm0.006) \times 10^{-14}$, implying $6 \times 10^{-17}$ fractional uncertainty. While in accord with the most accurate measurement, our 0.35%-accurate value is in a substantial, 10%, disagreement with recent semi-empirical calculations. We identify an oversight in those calculations., Comment: 4 pages

A relativistic many-body method is developed to calculate energy and transition rates for multipole transitions in many-electron ions. This method is based on relativistic many-body perturbation theory (RMBPT), agrees with MCDF calculations in lowest-order, includes all second-order correlation corrections and includes corrections from negative energy states. Reduced matrix elements, oscillator strengths, and transition rates are calculated for electric-multipole (dipole (E1), quadrupole (E2), and octupole (E3)) and magnetic-multipole (dipole (M1), quadrupole (M2), and octupole (M3)) transitions between 3l5l' excited and ground states in Ni-like ions with nuclear charges ranging from Z = 30 to 100. The calculations start from a 1s22s22p63s23p63d10} Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate-coupling coefficients, and second-order RMBPT is used to determine the matrix elements. A detailed discussion of the various contributions to the dipole matrix elements and energy levels is given for nickellike tungsten (Z = 74). The contributions from negative-energy states are included in the second-order E1, M1, E2 M2, E3, and M3 matrix elements. The resulting transition energies and transition rates are compared with experimental values and with results from other recent calculations. These atomic data are important in modeling of M-shell radiation spectra of heavy ions generated in electron beam ion trap experiments and in M-shell diagnostics of plasmas., Comment: 21 pages, 8 figures, 11 tables

Energies of np (n=6-9), ns (n=7-9), nd (n=6-8), and nf (n=5-6) states in Tl I and Pb II are obtained using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are determined for the 72 possible electric-dipole transitions. Electric-quadrupole and magnetic-dipole matrix elements are evaluated to obtain np(3/2) - mp(1/2) (n,m=6,7) transition rates. Hyperfine constants A are evaluated for a number of states in 205Tl. First-, second-, third-, and all-order corrections to the energies and matrix elements and first- and second-order Breit corrections to energies are calculated. 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. These calculations provide a theoretical benchmark for comparison with experiment and theory., Comment: twelve tables, no figures

Energies of ns[1/2] (n= 6-9), np[j] (n = 6-8), nd[j] (n= 6-7), and 5f[j] states in neutral Au and Au-like ions with nuclear charges Z = 80 - 83 are calculated using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition rates and lifetimes are determined for the 30 possible nl[j]-n'l'[j'] electric-dipole transitions. Results for a limited number states ns[1/2], np[j] (n= 6-7) and 6d[j] are obtained in the relativistic single-double (SD) approximation, where single and double excitations of Dirac-Fock wave functions are included to all orders in perturbation theory. Using SD wave functions, accurate values are obtained for energies of the eight lowest states and for the fourteen possible electric-dipole matrix elements between these states. With the aid of the SD wave functions, we also determine transition rates and oscillator strengths for the fourteen transitions together with lifetimes of 6p[j], 7p[j], and 6d[j] levels. We investigate the hyperfine structure in HgII and TlIII. The hyperfine A-values are determined for 6s[1/2] and 6p[j] states in 199Hg+, 201Hg+, and 205Tl++ isotopes. These calculations provide a theoretical benchmark for comparison with experiment and theory., Comment: 8 figures

A finite-field scaling method is applied to evaluate the Lennard-Jones interaction constant C_3 for alkali-metal atoms. The calculations are based on the relativistic single-double (SD) approximation in which single and double excitations of Dirac-Hartree-Fock wave functions are included to all orders in perturbation theory., Comment: 6 pages, 6 tables

To address the shortage of experimental data for electron spectra of triply-ionized rare earth elements we have calculated energy levels and lifetimes of 4f{n+1} and 4f{n}5d configurations of Nd IV (n=2), Pm IV (n=3), Sm IV (n=4), and Eu IV (n=5) using Hartree-Fock and configuration interaction methods. To control the accuracy of our calculations we also performed similar calculations for Pr III, Nd III and Sm III, for which experimental data are available. The results are important, in particular, for physics of magnetic garnets., Comment: 4 pages 1 table

Energies of 5l_j (l= s, p, d, f, g) and 4f_j states in neutral Ag and Ag-like ions with nuclear charges Z = 48 - 100 are calculated using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition rates and lifetimes are calculated for the 17 possible 5l_j-5l'_{j'} and 4f_j-5l_{j'} electric-dipole transitions. Third-order corrections to energies and dipole matrix elements are included for neutral Ag and for ions with Z<61. Second-order corrections are included for Z>60. Comparisons are made with available experimental data for transition energies and lifetimes. Correlation energies and transition rates are shown graphically as functions of nuclear charge Z for selected cases. These calculations provide a theoretical benchmark for comparison with experiment and theory., Comment: 8 pages

Energies of (3s2 3p6 3d9 4l4l'), (3s2 3p5 3d10 4l4l'), and (3s 3p6 3d10 4l4l') states for Cu-like ions with Z = 30 -100 are evaluated to second order in relativistic many-body perturbation theory (RMBPT) starting from a Ni-like Dirac-Fock potential. Second-order Coulomb and Breit-Coulomb interactions are included. Correction for the frequency-dependence of the Breit interaction is taken into account in lowest order. The Lamb shift correction to energies is also included in lowest order. Intrinsic particle-particle-hole contributions to energies are found to be 20-30% of the sum of one- and two-body contributions. Transition rates and line strengths are calculated for the 3l-4l' electric-dipole (E1) transitions in Cu-like ions with nuclear charge Z = 30 - 100. RMBPT including the Breit interaction is used to evaluate retarded E1 matrix elements in length and velocity forms. First-order RMBPT is used to obtain intermediate coupling coefficients and second-order RMBPT is used to calculate transition matrix elements. A detailed discussion of the various contributions to the dipole matrix elements and energy levels is given for copperlike tungsten (Z = 74). The transition energies used in the calculation of oscillator strengths and transition rates are from second-order RMBPT. Trends of the transition rates as functions of $Z$ are illustrated graphically for selected transitions. Comparisons are made with available experimental data. These atomic data are important in modeling of M-shell radiation spectra of heavy ions generated in electron beam ion trap experiments and in M-shell diagnostics of plasmas., Comment: 4 figures and 6 tables

The nuclear spin-dependent parity nonconserving (PNC) interaction arising from a combination of the hyperfine interaction and the coherent, spin-independent, PNC interaction from Z exchange is evaluated using many-body perturbation theory. For the 6s-7s transition in 133Cs, we obtain a result that is about 40% smaller than that found previously by Bouchiat and Piketty [Phys. Lett. B 269, 195 (1991)]. Applying this result to 133Cs, leads to an increase in the experimental value of nuclear anapole moment and exacerbates differences between constraints on PNC meson coupling constants obtained from the Cs anapole moment and those obtained from other nuclear parity violating experiments. Nuclear spin-dependent PNC dipole matrix elements, including contributions from the combined weak-hyperfine interaction, are also given for the 7s-8s transition in 211Fr and for transitions between ground-state hyperfine levels in K, Rb, Cs, Ba+, Au, Tl, Fr, and Ra+., Comment: Revtex4 preprint 19 pages 4 tables

Energies, transition rates, and electron electric dipole moment (EDM) enhancement factors are calculated for low-lying states of Ce IV and Pr V using relativistic many-body perturbation theory. This study is related to recent investigations of the more complicated Gd IV ion, which is promising for electron EDM experiments. The ions Ce IV and Pr V both have a single valence electron, permitting one to carry out reliable ab-initio calculations of energy levels, transition rates and other atomic properties using well developed computational methods.

Rates and line strengths are calculated for the 2s22p53l3l' - 2s22p63l'' and 2s2p63l3l' - 2s22p63l'' electric-dipole (E1) transitions in Na-like ions with nuclear charges ranging from Z = 14 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s22s22p6 Dirac-Fock potential. First-order RMBPT is used to obtain intermediate coupling coefficients and second-order RMBPT is used to calculate transition matrix elements. A detailed discussion of the various contributions to dipole matrix elements is given for sodiumlike copper (Z = 29). Transition energies used in the calculation of transition rates are from second-order RMBPT. Trends of transition rates as functions of Z are shown graphically for selected transitions., Comment: 9 pages and 5 figures

Energies of (2s2 2p5 3l3l') and (2s 2p6 3l3l') states for sodiumlike ions with Z =14--100 are evaluated to second order in relativistic many-body perturbation theory starting from a neonlike Dirac-Fock potential. Second-order Coulomb and Breit interactions are included. Correction for the frequency-dependence of the Breit interaction is taken into account in lowest order. The Lamb shift correction to energies is also included in lowest order. Intrinsic particle-particle-hole contributions to energies are found to be 20-30% of the sum of one- and two-body contributions. Comparisons are made with available experimental data. These calculations are presented as a theoretical benchmark for comparison with experiment and theory., Comment: Submitted to Phys. Rev. A 12 pages, 14 figures, and 4 Tables