arXiv subjects

M. S. Safronova

Publications and source records attributed to M. S. Safronova.

At least 91 records · Page 5Linked to original sources

arXiv2014

Relativistic calculations of $C_6$ and $C_8$ coefficients for strontium dimers

The electric dipole and quadrupole polarizabilities of the $5s5p~^3\!P_1^o$ state and the $C_6$ and $C_8$ coefficients for the $^1\!S_0 +\, ^1\!S_0$ and $^1\!S_0 +\, ^3\!P_1^o$ dimers of strontium are calculated using a high-precision relativistic approach that combines configuration interaction and linearized coupled-cluster methods. Our recommended values of the long range dispersion coefficients for the $0_u$ and $1_u$ energy levels are $C_6(0_u)=3771(32)$ a.u. and $C_6(1_u)= 4001(33)$ a.u., respectively. They are in good agreement with recent results from experimental photoassociation data. We also calculate $C_8$ coefficients for Sr dimers, which are needed for precise determination of long-range interaction potential. We confirm the experimental value for the magic wavelength, where the Stark shift on the $^1\!S_0$-$^3\!P_1^o$ transition vanishes. The accuracy of calculations is analyzed and uncertainties are assigned to all quantities reported in this work.

physics.atom-ph↗

arXiv2014

Relativistic all-order calculations of Th, Th$^{+}$ and Th$^{2+}$ atomic properties

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$^{2+}$.

physics.atom-ph↗

arXiv2014

Study of highly-charged Ag-like and In-like ions for the development of atomic clocks and search for $α$-variation

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 $α$, 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 $α$-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.

physics.atom-ph↗

arXiv2014

Atomic properties of superheavy elements No, Lr, and Rf

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.

physics.atom-ph↗

arXiv2014

Highly-charged ions for atomic clocks, quantum information, and search for $α$-variation

We propose 10 highly-charged ions as candidates for the development of next generation atomic clocks, quantum information, and search for $α$-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 $α$-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.

physics.atom-ph↗

arXiv2014

Spectroscopic observation of SU(N)-symmetric interactions in Sr orbital magnetism

SU(N) symmetry can emerge in a quantum system with N single-particle spin states when spin is decoupled from inter-particle interactions. So far, only indirect evidence for this symmetry exists, and the scattering parameters remain largely unknown. Here we report the first spectroscopic observation of SU(N=10) symmetry in Sr-87 using the state-of-the-art measurement precision offered by an ultra-stable laser. By encoding the electronic orbital degree of freedom in two clock states, while keeping the system open to 10 nuclear spin sublevels, we probe the non-equilibrium two-orbital SU(N) magnetism via Ramsey spectroscopy of atoms confined in an array of two-dimensional optical traps. We study the spin-orbital quantum dynamics and determine all relevant interaction parameters. This work prepares for using alkaline-earth atoms as test-beds for iconic orbital models.

cond-mat.quant-gas↗

arXiv2014

Relativistic many-body calculations of van der Waals coefficients for Yb-Li and Yb-Rb dimers

We derive the relativistic formulas for the van der Waals coefficients of Yb-alkali dimers that correlate to ground and excited separated-atom limits. We calculate $C_6$ and $C_8$ coefficients of particular experimental interest. We also derive a semi-empirical formula that expresses the $C_8$ coefficient of heteronuclear $A+B$ dimers in terms of the $C_6$ and $C_8$ coefficients of homonuclear dimers and the static dipole and quadrupole polarizabilities of the atomic states $A$ and $B$. We report results of calculation of the $C_6$ coefficients for the Yb-Rb $^3/!P_1^o+5s\, ^2/!S_{1/2}$ and $^1/!S_0+5p\, ^2/!P^o_{1/2}$ dimers, and the $C_8$ coefficients for the Yb-Li $^1/!S_0+2s\, ^2/!S_{1/2}$ and Yb-Rb $^1/!S_0+5s\, ^2/!S_{1/2}$ dimers. Uncertainties are estimated for all predicted properties.

physics.atom-ph↗

arXiv2013

Long range interactions of ytterbium in mixed quantum gases

We present methods for accurate evaluation of van der Waals coefficients of dimers with excited atoms that have a strong decay channel. We calculate C_6 coefficients for the Yb-Yb 1S_0+ 3P_{0,1}, 3P_0+3P_0 and Yb-Rb 3P_1+5s, 1S_0+ 5p_{1/2} dimers and C_8 coefficients for the Yb-Yb 1S_0+1S_0, 1S_0+3P_1 and Yb-Rb 1S_0+5s dimers. We evaluate uncertainties of all properties.

physics.atom-ph↗

arXiv2013

Long range interaction coefficients for ytterbium dimers

We evaluate the electric-dipole and electric-quadrupole static and dynamic polarizabilities for the 6s^2 ^1S_0, 6s6p ^3P_0, and 6s6p ^3P_1 states and estimate their uncertainties. A methodology is developed for an accurate evaluation of the van der Waals coefficients of dimers involving excited state atoms with strong decay channel to the ground state. This method is used for evaluation of the long range interaction coefficients of particular experimental interest, including the C_6 coefficients for the Yb-Yb ^1S_0+^3P_{0,1} and ^3P_0+^3P_0 dimers and C_8 coefficients for the ^1S_0+^1S_0 and ^1S_0+^3P_1 dimers.

physics.atom-ph↗

arXiv2013

Magnetic dipole and electric quadrupole moments of the 229Th nucleus

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 μ=0.360(7)μ_B and the electric-quadrupole Q=3.11(6) eb moments of the 229Th nucleus. Our value for μis five times more accurate and is 22% smaller than the best previous value μ=0.46(4) μ_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 $μ$ and Q in 229Th+3.

physics.atom-ph↗

arXiv2013

Relativistic many-body calculation of energies, oscillator strengths, transition rates, lifetimes, polarizabilities, and quadrupole moment of Fr-like Th IV ion

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

physics.atom-ph↗

arXiv2013

Thallium 7p lifetimes derived from experimental data and ab initio calculations of scalar polarizabilities

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, highly-accurate values for the thallium 7p excited-state lifetimes have been extracted. The scalar polarizability of the 7p_{1/2} state is also computed, anticipating an experimental determination of this quantity, which will then enable a high-precision determination of the 6d_{j}-7p_{j^{\prime}} transition rates and provide a benchmark test of the two theoretical approaches in the near future.

physics.atom-ph↗

arXiv2013

Polarizabilities, Stark shifts, and lifetimes of In atom

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.

physics.atom-ph↗

arXiv2013

Laser cooling and trapping of potassium at magic wavelengths

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.

physics.atom-ph↗

arXiv2012

Blackbody radiation shift in the Sr optical atomic clock

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 Δα= 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.

physics.atom-ph↗

arXiv2012

Precision Measurement of Transition Matrix Elements via Light Shift Cancellation

We present a method for accurate determination of atomic transition matrix elements at the 10^{-3} level. Measurements of the ac Stark (light) shift around "magic-zero" wavelengths, where the light shift vanishes, provide precise constraints on the matrix elements. We make the first measurement of the 5s-6p matrix elements in rubidium by measuring the light shift around the 421 nm and 423 nm zeros with a sequence of standing wave pulses. In conjunction with existing theoretical and experimental data, we find 0.3236(9) e a_0 and 0.5230(8) e a_0 for the 5s-6p_{1/2} and 5s-6p_{3/2} elements, respectively, an order of magnitude more accurate than the best theoretical values. This technique can provide needed, accurate matrix elements for many atoms, including those used in atomic clocks, tests of fundamental symmetries, and quantum information.

physics.atom-ph↗

arXiv2012

Ytterbium in quantum gases and atomic clocks: van der Waals interactions and blackbody shifts

We evaluated the C_6 coefficients of Yb-Yb and Yb -alkali/group II van der Waals interactions with 2% uncertainty. The only existing results for such quantities are for the Yb-Yb dimer. Our value, C_6=1929(39) a.u., is in excellent agreement with the recent experimental determination of 1932(35) a.u. We have also developed a new approach for the calculation of the dynamic correction to the blackbody radiation shift. We have calculated this quantity for the Yb 6s^2 ^1S_0 - 6s6p ^3P_0 clock transition with 3.5% uncertainty. This reduces the fractional uncertainty due to the blackbody radiation shift in the Yb optical clock at 300 K to 10^{-18} level.

physics.atom-ph↗

arXiv2012

Study of the correlation effects in Yb^+ and implications for parity violation

Calculation of the energies, magnetic dipole hyperfine structure constants, E1 transition amplitudes between the low-lying states, and nuclear spin-dependent parity-nonconserving amplitudes for the ^2S_{1/2} - ^2D_{3/2,5/2} transitions in ^{171}Yb^+ ion is performed using two different approaches. First, we carried out many-body perturbation theory calculation considering Yb^+ as a monovalent system. Additional all-order calculations are carried out for selected properties. Second, we carried out configuration interaction calculation considering Yb as a 15-electron system and compared the results obtained by two methods. The accuracy of different methods is evaluated. We find that the monovalent description is inadequate for evaluation of some atomic properties due to significant mixing of the one-particle and the hole-two-particle configurations. Performing the calculation by such different approaches allowed us to establish the importance of various correlation effects for Yb^+ atomic properties for future improvement of theoretical precision in this complicated system.

physics.atom-ph↗