State-insensitive bichromatic optical trapping

We propose a scheme for state-insensitive trapping of neutral atoms by using light with two independent wavelengths. In particular, we describe the use of trapping and control lasers to minimize the variance of the potential experienced by a trapped Rb atom in ground and excited states. We present calculated values of wavelength pairs for which the 5s and 5p_{3/2} levels have the same ac Stark shifts in the presence of two laser fields.Comment: 5 pages, 4 figure

Resolving all-order method convergence problems for atomic physics applications

The development of the relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Hartree-Fock wave function are included to all orders of perturbation theory led to many important results for study of fundamental symmetries, development of atomic clocks, ultracold atom physics, and others, as well as provided recommended values of many atomic properties critically evaluated for their accuracy for large number of monovalent systems. This approach requires iterative solutions of the linearized coupled-cluster equations leading to convergence issues in some cases where correlation corrections are particularly large or lead to an oscillating pattern. Moreover, these issues also lead to similar problems in the CI+all-order method for many-particle systems. In this work, we have resolved most of the known convergence problems by applying two different convergence stabilizer methods, reduced linear equation (RLE) and direct inversion of iterative subspace (DIIS). Examples are presented for B, Al, Zn$^+$, and Yb$^+$. Solving these convergence problems greatly expands the number of atomic species that can be treated with the all-order methods and is anticipated to facilitate many interesting future applications

Helium 2 3S - 2 1S metrology at 1557 nm

An experiment is proposed to excite the 'forbidden' 1s2s 3S1 - 1s2s 1S0 magnetic dipole (M1) transition at 1557 nm in a collimated and slow atomic beam of metastable helium atoms. It is demonstrated that an excitation rate of 5000 /s can be realised with the beam of a 2W narrowband telecom fiber laser intersecting the atomic beam perpendicularly. A Doppler-limited sub-MHz spectroscopic linewidth is anticipated. Doppler-free excitation of 2% of trapped and cooled atoms may be realised in a one-dimensional optical lattice geometry, using the 2W laser both for trapping and spectroscopy. The very small (8 Hz) natural linewidth of this transition presents an opportunity for accurate tests of atomic structure calculations of the helium atom. A measurement of the 3He - 4He isotope shift allows for accurate determination of the difference in nuclear charge radius of both isotopes.Comment: accepted for publication in Europhysics Letter

Electric Quadrupole Moments of Metastable States of Ca+, Sr+, and Ba+

Electric quadrupole moments of the metastable nd3/2 and nd5/2 states of Ca+, Sr+, and Ba+ are calculated using the relativistic all-order method including all single, double, and partial triple excitations of the Dirac-Hartree-Fock wave function to provide recommended values for the cases where no experimental data are available. The contributions of all non-linear single and double terms are also calculated for the case of Ca+ for comparison of our approach with the CCSD(T) results. The third-order many body perturbation theory is used to evaluate contributions of high partial waves and the Breit interaction. The remaining omitted correlation corrections are estimated as well. Extensive study of the uncertainty of our calculations is carried out to establish accuracy of our recommended values to be 0.5% - 1% depending on the particular ion. Comprehensive comparison of our results with other theoretical values and experiment is carried out. Our result for the quadrupole moment of the 3d5/2 state of Ca+ ion, 1.849(17)ea_0^2, is in agreement with the most precise recent measurement 1.83(1)ea_0^2 by Roos et al. [Nature 443, 316 (2006)].Comment: 7 page

Resonant ion-pair formation in electron recombination with HF^+

The cross section for resonant ion-pair formation in the collision of low-energy electrons with HF^+ is calculated by the solution of the time-dependent Schrodinger equation with multiple coupled states using a wave packet method. A diabatization procedure is proposed to obtain the electronic couplings between quasidiabatic potentials of ^1Sigma^+ symmetry for HF. By including these couplings between the neutral states, the cross section for ion-pair formation increases with about two orders of magnitude compared with the cross section for direct dissociation. Qualitative agreement with the measured cross section is obtained. The oscillations in the calculated cross section are analyzed. The cross section for ion-pair formation in electron recombination with DF^+ is calculated to determine the effect of isotopic substitution.Comment: 12 pages, 12 figure

Detection of positron-atom bound states through resonant annihilation

A method is proposed for detecting positron-atom bound states by observing enhanced positron annihilation due to electronic Feshbach resonances at electron-volt energies. The method is applicable to a range of open-shell transition metal atoms which are likely to bind the positron: Fe, Co, Ni, Tc, Ru, Rh, Sn, Sb, Ta, W, Os, Ir, and Pt. Estimates of their binding energies are provided.Comment: 5 pages, 1 figure; estimates of binding energies have been adde

Spin gaps and spin-flip energies in density-functional theory

Energy gaps are crucial aspects of the electronic structure of finite and extended systems. Whereas much is known about how to define and calculate charge gaps in density-functional theory (DFT), and about the relation between these gaps and derivative discontinuities of the exchange-correlation functional, much less is know about spin gaps. In this paper we give density-functional definitions of spin-conserving gaps, spin-flip gaps and the spin stiffness in terms of many-body energies and in terms of single-particle (Kohn-Sham) energies. Our definitions are as analogous as possible to those commonly made in the charge case, but important differences between spin and charge gaps emerge already on the single-particle level because unlike the fundamental charge gap spin gaps involve excited-state energies. Kohn-Sham and many-body spin gaps are predicted to differ, and the difference is related to derivative discontinuities that are similar to, but distinct from, those usually considered in the case of charge gaps. Both ensemble DFT and time-dependent DFT (TDDFT) can be used to calculate these spin discontinuities from a suitable functional. We illustrate our findings by evaluating our definitions for the Lithium atom, for which we calculate spin gaps and spin discontinuities by making use of near-exact Kohn-Sham eigenvalues and, independently, from the single-pole approximation to TDDFT. The many-body corrections to the Kohn-Sham spin gaps are found to be negative, i.e., single particle calculations tend to overestimate spin gaps while they underestimate charge gaps.Comment: 11 pages, 1 figure, 3 table

State-insensitive trapping of Rb atoms: linearly versus circularly polarized lights

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 determined from the differential Stark shifts and results for the linearly polarized light are compared with the previously available results. Possible scope of facilitating state-insensitive optical trapping schemes using the magic wavelengths for circularly polarized light are discussed. Using the optimized matrix elements, the lifetimes of the 4d and 6s states of this atom are ameliorated.Comment: 13 pages, 13 tables and 4 figure

Anomalously small blackbody radiation shift in Tl+ frequency standard

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. In the present work, we used configuration interaction + coupled-cluster method to evaluate polarizabilities of the 6s^2 ^1S_0 and $6s6p ^3P_0$ states of Tl$^+$ ion; we find $\alpha_0(^1S_0)=19.6$ a.u. and $\alpha_0(^3P_0)=21.4$ a.u.. The resulting BBR shift of the 6s6p ^3P_0 - 6s^2 ^1S_0 Tl$^+$ transition at $300 K$ is $\Delta \nu_{\rm BBR}=-0.0157(16)$ Hz. This result demonstrates that near cancelation of the $^1S_0$ and $^3P_0$ state polarizabilities in divalent B+, Al+, In$^+$ ions of group IIIB [Safronova \textit{et al.}, PRL 107, 143006 (2011)] continues for much heavier Tl$^+$, leading to anomalously small BBR shift for this system. This calculation demonstrates that the BBR contribution to the fractional frequency uncertainty of the Tl+ frequency standard at 300K is $1\times10^{-18}$. We find that Tl+ has the smallest fractional BBR shift among all present or proposed frequency standards with the exception of Al+.Comment: 5 page