Level-crossing spectroscopy of the 7, 9, and 10D_5/2 states of 133Cs and validation of relativistic many-body calculations of the polarizabilities and hyperfine constants
M. Auzinsh, K. Blushs, R. Ferber, F. Gahbauer, A. Jarmola, M. S. Safronova, U. I. Safronova, M. Tamanis
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.
We apply relativistic many-body methods to compute static differential polarizabilities for transitions inside the ground-state hyperfine manifolds of monovalent atoms and ions. Knowing this transition polarizability is required in a number of high-precision experiments, such as microwave atomic clocks and searches for CP-violating permanent electric dipole moments. While the traditional polarizability arises in the second-order of interaction with the externally-applied electric field, the differential polarizability involves additional contribution from the hyperfine interaction of atomic el…
Removal energies and hyperfine constants of the lowest four $ns, np_{1/2}$ and $np_{3/2}$ states in Na, K, Rb and Cs are calculated; removal energies of the n=7--10 states and hyperfine constants of the n=7 and 8 states in Fr are also calculated. The calculations are based on the relativistic single-double (SD) approximation in which single and double excitations of Dirac-Hartree-Fock (DHF) wave functions are included to all-orders in perturbation theory. Using SD wave functions, accurate values of removal energies, electric-dipole matrix elements and static polarizabilities are obtained, howe…
The static and dynamic polarizabilities, and the tune-out wavelengths of the ground state of Rb and the hyperfine ground states of $^{87, 85}$Rb have been calculated by using relativistic configuration interaction plus core polarization(RCICP) approach. It is found that the first primary tune-out wavelengths of the $ 5s_{1/2}, F=1, 2 $ states of $ ^{87}$Rb are 790.018187(193) nm and 790.032602(193) nm severally, where the calculated result for the $ 5s_{1/2}, F=2 $ state is in good agreement with the latest high-precision measurement 790.032388(32) nm [Phys. Rev. A 92, 052501 (2015)]. Similarl…
The present work determines the precise values of magic wavelengths corresponding to the clock transitions 5$^2S$-4$^2D$ of Y$^{2+}$ ion both at the levels of fine- and hyperfine-structures due to the external light beams having linear as well as circular polarization. To calculate the dynamic polarizabilities of the associated states of the transitions, we employ the sum-over-states technique, where the dominating and correlation sensitive part of the sum is evaluated using a highly correlated relativistic coupled-cluster theory. The estimated magic wavelengths of the light beams have substan…
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…
The influence of hyperfine interactions on the tune-out wavelengths of the $^{39,40,41}$K isotopes of the potassium atom was investigated. The hyperfine interaction of the $4s_{1/2}$ state result in a shift and splitting of the primary tune-out wavelength near 769 nm. The $4s_{1/2}$ ground state hyperfine splittings of the primary tune-out were almost equal to the hyperfine splittings of the ground states. The splittings in the wavelengths were 0.0008, 0.0027 and 0.0005 nm for $^{39}$K, $^{40}$K and $^{41}$K respectively. The hyperfine splitting of the $np_{J}$ levels leads to the creation of …
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 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…
The static and dynamic electric-dipole polarizabilities and tune-out wavelengths for the ground state of Cs atoms are calculated by using a semiempirical relativistic configuration interaction plus core polarization approach. By considering the hyperfine splittings, the static and dynamic polarizabilities, hyperfine Stark shifts, and tune-out wavelengths of the hyperfine components of the ground level of $^{133}$Cs atoms are determined. It is found that the hyperfine shifts of the first primary tune-out wavelengths are about $-$0.0135 nm and 0.0106 nm, which are very close to the hyperfine int…
A systematic study of Ca+ atomic properties is carried out using high-precision relativistic all-order method where all single, double, and partial triple excitations of the Dirac-Fock wave functions are included to all orders of perturbation theory. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are determined for the levels up to n = 7. Recommended values and estimates of their uncertainties are provided for a large number of electric-dipole transitions. Electric-dipole scalar polarizabilities for the 5s, 6s, 7s, 8s, 4p, 5p, 3d, and 4d states and tensor polari…
Roles of electron correlation effects in the determination of attachment energies, magnetic dipole hyperfine structure constants and electric dipole (E1) matrix elements of the low-lying states in the singly charged cadmium ion (Cd$^+$) have been analyzed. We employ the singles and doubles approximated relativistic coupled-cluster (RCC) method to calculate these properties. Intermediate results from the Dirac-Hartree-Fock approximation, second-order many-body perturbation theory and considering only the linear terms of the RCC method are given to demonstrate propagation of electron correlation…
We demonstrate a technique for precisely measuring hyperfine intervals in alkali atoms. The atoms form a three-level $Λ$ system in the presence of a strong control laser and a weak probe laser. The dressed states created by the control laser show significant linewidth reduction. We have developed a technique for Doppler-free spectroscopy that enables the separation between the dressed states to be measured with high accuracy even in room-temperature atoms. The states go through an avoided crossing as the detuning of the control laser is changed from positive to negative. By studying the separa…
The pure electric field level-crossing of m_F Zeeman sublevels of hyperfine F levels at two-step laser excitation was described theoretically and studied experimentally for the nD_3/2 states in Cs with n = 7,9, and 10, by applying a diode laser in the first 6S_1/2 to 6P_3/2 step and a diode or dye laser for the second 6P_3/2 to nD_3/2 step. Level-crossing resonance signals were observed in the nD_3/2 to 6P_1/2 fluorescence. A theoretical model was developed to describe quantitatively the resonance signals by correlation analysis of the optical Bloch equations in the case when an atom simultane…
We studied magneto-optical resonances caused by excited-state level crossings in a nonzero magnetic field. Experimental measurements were performed on the transitions of the $D_2$ line of rubidium. These measured signals were described by a theoretical model that takes into account all neighboring hyperfine transitions, the mixing of magnetic sublevels in an external magnetic field, the coherence properties of the exciting laser radiation, and the Doppler effect. Good agreement between the experimental measurements and the theoretical model could be achieved over a wide range of laser power de…
We present a theoretical analysis of the Stark effect in the hyperfine structure of the cesium ground-state. We have used third order perturbation theory, including diagonal and off-diagonal hyperfine interactions, and have identified terms which were not considered in earlier treatments. A numerical evaluation using perturbing levels up to n=18 yields new values for the tensor polarizability $α_2(6S_{1/2})$ and for the Stark shift of the clock transition frequency in cesium. The polarizabilities are in good agreement with experimental values, thereby removing a 40-year-old discrepancy. The cl…
We have calculated ac polarizabilities of the $2 \ ^3S$ and $2 \ ^1S$ states of both $^4$He and $^3$He in the range 318 nm to 2.5 $μ$m and determined the magic wavelengths at which these polarizabilities are equal for either isotope. The calculations, only based on available ab initio tables of level energies and Einstein A coefficients, do not require advanced theoretical techniques. The polarizability contribution of the continuum is calculated using a simple extrapolation beyond the ionization limit, yet the results agree to better than 1% with such advanced techniques. Several promising ma…
We present the derivation of the frequency dependent scalar, vector, and tensor dynamical polarizabilities for the two hyperfine levels of the 87Rb atom 5s ground state. Based on the characterization of the dynamical polarizabilities, we analyze and measure the differential vector and tensor light shift between the 5s ground state sub-levels with near-resonant, stimulated Raman transitions. These results clarify that the tensor polarizabilities for the ground states of alkali atoms are absent when the light field is far-detuned from the atomic resonance and the total electronic angular momentu…
We remind the reader that it is possible to tell if two or more eigenvalues of a matrix are equal, without calculating the eigenvalues. We then use this property to detect (avoided) crossings in the spectra of quantum Hamiltonians representable by matrices. This approach provides a pedagogical introduction to (avoided) crossings, is capable of handling realistic Hamiltonians analytically, and offers a way to visualize crossings which is sometimes superior to that provided by the spectrum. We illustrate the method using the Breit-Rabi Hamiltonian to describe the hyperfine-Zeeman structure of th…
The microwave clock frequency of the $|5s~^2S_{1/2}, F=0,m_F=0 \rangle \leftrightarrow |5s~^2S_{1/2}, F=1,m_F=0 \rangle$ transition in the $^{113}$Cd$^+$ ion has been reported as 15199862855.0192(10) Hz [Opt. Lett. {\bf 40}, 4249 (2015)]. Fractional systematic due to the black-body radiation (BBR) shift ($β$) arising from the Stark effect in the above clock transition was used as $-1.1 \times 10^{-16}$ from our unpublished preliminary estimation. We present here a precise value as $β=-1.815(77) \times 10^{-16}$ by carrying out rigorous calculations of third-order polarizabilities of the hyperf…
We investigate single-particle energy spectra of the hydroxyl free radical (OH) in the lowest electronic and rovibrational level under combined static electric and magnetic fields, as an example of heteronuclear polar diatomic molecules. In addition to the fine-structure interactions, the hyperfine interactions and centrifugal distortion effects are taken into account to yield the zero-field spectrum of the lowest ${}^2Π_{3/2}$ manifold to an accuracy of less than 2 kHz. We also examine level crossings and repulsions in the hyperfine structure induced by applied electric and magnetic fields. C…
High-resolution Zeeman spectroscopy of electronic-nuclear hyperfine levels of ${^5\mathrm{I}_8}\rightarrow{^5\mathrm{I}_7}$ transitions in Ho$^{3+}$:Y$_2$SiO$_5$ is reported. Crystal-field parameters determined for the two $C_1$ symmetry sites in Er$^{3+}$:Y$_2$SiO$_5$ are successfully used to model the Zeeman-hyperfine data, including the prediction of avoided crossings between hyperfine levels under the influence of an external magnetic field. The two six- and seven-coordinate substitutional sites may be distinguished by comparing the spectra with crystal-field calculations.
We present additional magic wavelengths ($λ_{\rm{magic}}$) for the clock transitions in the alkaline-earth metal ions considering circular polarized light aside from our previously reported values in [J. Kaur et al., Phys. Rev. A {\bf 92}, 031402(R) (2015)] for the linearly polarized light. Contributions from the vector component to the dynamic dipole polarizabilities ($α_d(ω)$) of the atomic states associated with the clock transitions play major roles in the evaluation of these $λ_{\rm{magic}}$, hence facilitating in choosing circular polarization of lasers in the experiments. Moreover, the …
In a recent publication [Phys. Rev. A 79, 065602 (2009)] it was shown that an avoided-crossing resonance can be defined in different ways, according to level-structural or dynamical aspects, which do not coincide in general. Here a simple $3$-level system in a $Λ$ configuration is discussed, where the difference between both definitions of the resonance may be observed. We also discuss the details of a proposed experiment to observe this difference, using microwave fields coupling hyperfine magnetic sublevels in alkali atoms.
Level crossings in the ground state of ions occur when the nuclear charge Z and ion charge Z_ion are varied along an isoelectronic sequence until the two outermost shells are nearly degenerate. We examine all available level crossings in the periodic table for both near neutral ions and highly charged ions (HCIs). Normal E1 transitions in HCIs are in X-ray range, however level crossings allow for optical electromagnetic transitions that could form the reference transition for high accuracy atomic clocks. Optical E1 (due to configuration mixing), M1 and E2 transitions are available in HCIs near…
Relativistic configuration-interaction and coupled-cluster calculations of Ir$^{17+}$ transition energies and properties for optical clock applications
A large-scale full-configuration-interaction calculation based on Dirac-Coulomb-Breit (DCB) Hamiltonian is performed for the $2\,^1S_0$ and $2\,^3S_1$ states of helium. The operators of the normal and specific mass shifts are directly included in the DCB framework to take the finite nuclear mass correction into account. High-accuracy energies and matrix elements involved n (the main quantum number) up to 13 are obtained from one diagonalization of Hamiltonian. The dynamic dipole polarizabilities are calculated by using the sum rule of intermediate states. And a series of magic wavelengths with…
