Correction to the hyperfine constant $A$ of an external s-electron in many-electron atom caused by the Breit interaction is calculated analytically: $δA/A =0.68 Zα^2$. Physical mechanism for this correction is polarization of the internal electronic shells (mainly $1s^2$ shell) by the magnetic field of the external electron. This mechanism is similar to the polarization of vacuum considered by Karplus and Klein long time ago. The similarity is the reason why in both cases (Dirac sea polarization and internal atomic shells polarization) the corrections have the same dependence on the nuclear charge and fine structure constant.
In conclusion we also discuss $Zα^2$ corrections to the parity violation effects in atoms.
By solving the two-body Schordinger equation in a very high precise nonperturbative numerical (NPnum) way, we reexamine the contributions of fine, hyperfine structure splittings of muonic hydrogen based on the Breit potential. The comparison of our results with those by the first order perturbative theory ($^{1st}$PT) in the literature shows, when the structure of proton is considered, the differences between the results by the $^{1st}$PT and NPnum methods are small for the fine and hyperfine splitting of $2P$ state, while are about $-0.009$ meV and $0.08$ meV for the $F=1$ and total hyperfine…
The Breit equation with two electromagnetic form-factors is studied to obtain a potential with finite size corrections. This potential with proton structure effects includes apart from the standard Coulomb term, the Darwin term, retarded potentials, spin-spin and spin-orbit interactions corresponding to the fine and hyperfine structures in hydrogen atom. Analytical expressions for the hyperfine potential with form factors and the subsequent energy levels including the proton structure corrections are given using the dipole form of the form factors. Numerical results are presented for the finit…
In the framework of the multiconfiguration Dirac-Hartree-Fock method, we investigate the transition properties of four excited states in the $2p^53s$ configuration of neutral neon. The electron correlation effects are taken into account systematically by using the active space approach. The effect of higher-order correlation on fine structures is shown. We also study the influence of the Breit interaction and find that it reduces the oscillator strength of the $^3P^o_1 - ^1S_0$ transition by 17%. It turns out that the inclusion of the Breit interaction is essential even for such a light atomic…
In previous work devoted to {\it ab initio} calculations of hyperfine structure constants in nitrogen and fluorine atoms, we observed sizeable relativistic effects, a priori unexpected for such light systems, that can even largely dominate over electron correlation. We observed that the atomic wave functions calculated in the Breit-Pauli approximation describe adequately the relevant atomic levels and hyperfine structures, even in cases for which a small relativistic $LS$-term mixing becomes crucial. In the present work we identify new levels belonging to the spectroscopic terms $2p^4(^3\!P) 3…
The relativistic Breit Hamiltonian between electrons is transformed into an effective vector potential ${\bf A}_i$ for the $i.$th electron, ${\bf A}_i$ having the structure of a recoil--corrected hyperfine operator. Apart from a small three--body operator, the Dirac--Breit equation is now easier applied to relativistic magnetic properties of complex systems.
Corrections from Breit interaction to basic properties of atomic 133Cs are determined in the framework of third-order relativistic many-body perturbation theory. The corrections to energies, hyperfine-structure constants, off-diagonal hyperfine 6S-7S amplitude, and electric-dipole matrix elements are tabulated. It is demonstrated that the Breit corrections to correlations are comparable to the Breit corrections at the Dirac-Hartree-Fock level. Modification of the parity-nonconserving (PNC) 6S-7S amplitude due to Breit interaction is also evaluated; the resulting weak charge of $^{133}$Cs shows…
The hyperfine interaction constants of the 2p4(3P)3p 2Do_{3/2,5/2}, 4Do_{1/2-7/2} and 4Po_{1/2-5/2} levels in neutral fluorine are investigated theoretically. Large-scale calculations are carried out using the multiconfiguration Hartree-Fock (MCHF) and Dirac-Hartree-Fock (MCDHF) methods. In the framework of the MCHF approach, the relativistic effects are taken into account in the Breit-Pauli approximation using non relativistic orbitals. In the fully relativistic approach, the orbitals are optimized using the Dirac-Coulomb Hamiltonian with correlation models inspired by the non relativistic ca…
It is demonstrated that Breit and negative-energy state contributions reduce the 2.5 sigma deviation [S.C. Bennett and C.E. Wieman, Phys. Rev. Lett. 82, 2484 (1999)] in the value of the weak charge of 133Cs from the Standard Model prediction to 1.7sigma. The corrections are obtained in the relativistic many-body perturbation theory by combining all-order Coulomb and second-order Breit contributions. The corrections to parity-nonconserving amplitudes amount to 0.6% in 133Cs and 1.1% in 223Fr. The relevant magnetic-dipole hyperfine structure constants are modified at the level of 0.3% in Cs, and…
The hyperfine structure constants of the lowest $s$ and $p_{1/2}$ states of superheavy elements Z=119 and Z= 120$^+$ are calculated using {\em ab initio} approach. Core polarization and dominating correlation effects are included to all orders. Breit and quantum electrodynamic effects are also considered. Similar calculations for Cs, Fr, Ba$^+$ and Ra$^+$ are used to control the accuracy. The dependence of the hyperfine structure constants on nuclear radius is discussed.
A large-scale configuration-interaction (CI) calculation is reported for the hyperfine splitting of the 2^2S and 3^2S states of ^7Li and ^9Be^+. The CI calculation based on the Dirac-Coulomb-Breit Hamiltonian is supplemented with a separate treatment of the QED, nuclear-size, nuclear-magnetization distribution, and recoil corrections. The nonrelativistic limit of the CI results is in excellent agreement with variational calculations. The theoretical values obtained for the hyperfine splitting are complete to the relative order of α^2 and improve upon results of previous studies.
A large-scale relativistic configuration-interaction (CI) calculation is performed for the magnetic-dipole and the electric-quadrupole hyperfine structure splitting in ^{7,6}Li and ^9Be^+. Numerical results for the 2^2S, 3^2S, 2^2P_{1/2}, and 2^2P_{3/2} states are reported. The CI calculation based on the Dirac-Coulomb-Breit Hamiltonian is supplemented with separate treatments of the QED, nuclear-magnetization distribution, recoil, and negative-continuum effects.
Hyperfine induced $1s2s ^1S_0 \to 1s^2 ^1S_0$ M1 transition probabilities of He-like ions have been calculated from relativistic configuration interaction wavefunctions including the frequency independent Breit interaction and QED effects. Present results for {$^{151}$}Eu and {$^{155}$}Gd are in good agreement with previous calculations [Phys. Rev. A {\bf 63}, 054105 (2001)]. Electronic data are given in terms of a general scaling law in $Z$ that, given isotopic nuclear spin and magnetic moment, allows hyperfine induced decay rates to be estimated for any isotope. The results should be helpful…
The rigorous QED evaluation of the one- and two-photon exchange corrections to the ground-state hyperfine splitting in Li-like ions is presented for the wide range of nuclear charge number $Z= 7 - 82$. The calculations are carried out in the framework of the extended Furry picture, i.e., with inclusion of the effective local screening potential in the zeroth-order approximation. The interelectronic-interaction contributions of the third and higher orders are taken into account in the framework of the Breit approximation employing the recursive perturbation theory. In comparison to the previous…
By combining our theoretical calculation and recently measured electric quadrupole hyperfine structure constant of the $3d ^2D_{5/2}$ state in the singly ionized $^{43}$Ca, we determine its nuclear quadrupole moment to one percent accuracy. The obtained result, $-0.0444(6)b$, is about ten percent improvement over the considered standard value. We have employed the relativistic coupled-cluster theory at single and double excitations level to calculate the electronic wave functions. The accuracy of these wave functions are estimated by comparing our calculated magnetic dipole hyperfine constants…
We calculated the magnetic dipole and the electric quadrupole hyperfine interaction constants of 3s3p $^{3,1}P^o_1$ states and the isotope shift, including mass and field shift, factors for transitions from these two states to the ground state 3s$^2~^1S_0$ in Al$^+$ ions using the multiconfiguration Dirac-Hartree-Fock method. The effects of the electron correlations and the Breit interaction on these physical quantities were investigated in detail based on the active space approach. It is found that the CC and the higher-order correlations are considerable for evaluating the uncertainties of t…
We report an experimental determination of the diamagnetic correction to the $^9$Be$^+$ ground state hyperfine constant $A$. We measured $A$ = $-625\,008\,837.371(11)$ Hz at a magnetic field $B$ of 4.4609 T. Comparison with previous results, obtained at lower values of $B$ (0.68 T and 0.82 T), yields the diamagnetic shift coefficient $k$ = $2.63(18) \times 10^{-11}$ T$^{-2}$, where $A(B)=A_0\times (1+k B^2)$. The zero-field hyperfine constant $A_0$ is determined to be $-625\,008\,837.044(12)$ Hz. The $g$-factor ratio ${g_I}^\prime/g_J$ is determined to be $2.134\,779\,852\,7(10) \times 10^{-4}…
The fully relativistic theory of the Zeeman splitting of the $(1s)^2 2s$ hyperfine-structure levels in lithiumlike ions with $Z=6 - 32$ is considered for the magnetic field magnitude in the range from 1 to 10 T. The second-order corrections to the Breit -- Rabi formula are calculated and discussed including the one-electron contributions as well as the interelectronic-interaction effects of order 1/Z. The 1/Z corrections are evaluated within a rigorous QED approach. These corrections are combined with other interelectronic-interaction, QED, nuclear recoil, and nuclear size corrections to obtai…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The formalism first leads to different physical interactions from the use of an exponential cluster operator for radiative effects. Lamb, Breit and hyperfine interactions are obtained. Next, relativistic many-body effects are determined using the matter cluster in a way familiar from the nonrelativistic CC. This step can be nontrivial. By allowing the matter clu…
Hyperfine induced $2s2p~^3P_0 \rightarrow 2s^2~^1S_0$ transition rates in an external magnetic field for Be-like $^{47}$Ti were calculated based on the multiconfiguration Dirac-Fock method. It was found that the transition probability is dependent on the magnetic quantum number $M_F$ of the excited state, even in the weak field. The present investigation clarified that the difference of the hyperfine induced transition rate of Be-like Ti ions between experiment [Schippers {\sl et al.}, Phys Rev Lett {\bf 98}, (2007) 033001(4)] and theory does not result from the influence of external magnetic …
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-or…
We present experimental results on the influence of magnetic fields and laser polarization on electromagnetically induced transparency (EIT) using Rydberg levels of $^{87}$Rb atoms. The measurements are performed in a room temperature vapor cell with two counter-propagating laser beams at 480nm and 780nm in a ladder-type energy level scheme. We measure the EIT spectrum of a range of $ns_{1/2}$ Rydberg states for $n=19-27$, where the hyperfine structure can still be resolved. Our measurements span the range of magnetic fields from the low field linear Zeeman regime to the high field Paschen-Bac…
We consider three-loop radiative corrections to the Lamb shift and hyperfine splitting. Corrections of order $α^3(Zα)^5m$ are the largest still unknown contributions to the Lamb shift in hydrogen. We calculated radiative corrections to the Lamb shift and hyperfine splitting generated by the diagrams with insertions of one radiative photon and electron polarization loops in the graphs with two external photons. We also obtained corrections generated by the gauge invariant sets of diagrams with two reducible radiative photon insertions in the electron line and polarization operator insertion in …
Multiconfiguration Hartree-Fock (MCHF) and multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations are performed for the $2p^{5}~^{2}P^{o}$, $2p^4(^{3}P)3s~^{4}P$, $2p^4(^{3}P)3s~^{2}P$ and $2p^4(^{3}P)3p~^{4}S^o$ states of $^{19}$F~I to determine their hyperfine constants. Several computing strategies are considered to investigate electron correlation and relativistic effects. High-order correlation contributions are included in MCHF calculations based on single and double multireference (SD-MR) expansions. The largest components of the single reference MCHF wave functions are selected to …
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…
We calculate radiative corrections to the Lamb shift of order $α^3(Zα)^5m$ and radiative corrections to hyperfine splitting of order $α^3(Zα)E_F$ generated by the diagrams with insertions of radiative photons and electron polarization loops in the graphs with two external photons. We also obtain the radiative-recoil correction to hyperfine splitting in muonium generated by the diagrams with the $τ$ polarization loop.
Investigating Role of Electron Correlation Effects via Triple Excitations for Precise Evaluation of Energies and Hyperfine Structure Constants in $^{23}$Na
Physical Research Laboratory（物理研究实验室）；Indian Institute of Technology Gandhinagar（甘地纳加尔印度理工学院）
$^{229}$Th is a promising candidate for developing a nuclear optical clock and searching the new physics beyond the standard model. Accurate knowledge of the nuclear properties of $^{229}$Th is very important. In this work, we calculate hyperfine-structure constants for the first four states of $^{229}$Th$^{3+}$ using the relativistic coupled-cluster method based on the Gauss basis set. The no-pair Dirac-Coulomb-Breit Hamiltonian with the lowest-order quantum electrodynamics (QED) correction is the starting point, together with all linear and non-linear terms of single and double excitations a…
Comprehensive calculations of energy levels, radiative transition parameters, hyperfine structure constants A$_J$-B$_J$, Landé g$_J$ factors and isotope shifts for Sc XX
We characterize the Europium (Eu$^{3+}$) hyperfine interaction of the excited state ($^5$D$_0$) and determine its effective spin Hamiltonian parameters for the Zeeman and quadrupole tensors. An optical free induction decay method is used to measure all hyperfine splittings under weak external magnetic field (up to 10 mT) for various field orientations. On the basis of the determined Hamiltonian we discuss the possibility to predict optical transition probabilities between hyperfine levels for the $^7$F$_{0} \longleftrightarrow ^5$D$_{0}$ transition. The obtained results provide necessary infor…
Ultracold molecular collisions in magnetic fields: Efficient incorporation of hyperfine structure in the total rotational angular momentum representation
Excited state angular momentum alignment -- orientation conversion for atoms with hyperfine structure in presence of an external magnetic field is investigated. Transversal orientation in these conditions is reported for the first time. This phenomenon occurs under Paschen Back conditions at intermediate magnetic field strength. Weak radiation from a linearly polarized diode laser is used to excite Rb atoms in a cell. The laser beam is polarized at an angle of pi/4 with respect to the external magnetic field direction. Ground state hyperfine levels of the 5S_1/2 state are resolved using laser-…
We consider higher-order corrections to hyperfine coefficients related to the spin-orbit and spin-spin tensor interactions in hydrogen molecular ions. The $mα^7 \ln(α)$-order radiative correction is derived in the NRQED framework. We present complete numerical calculations, including as well the $mα^6$-order relativistic correction, for the case of H$_2^+$. The theoretical uncertainty is reduced by more than one order of magnitude with respect to the Breit-Pauli level, down to a few ppm. We also compare our results with available rf spectroscopy data.
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…
Sum rules for the energy levels of a hyperfine multiplet in a constant uniform magnetic field is presented. It is found that for any values of the electron angular moment and the nuclear spin there are certain linear combinations of energy levels which do not depend on the magnetic field and can be used to determine the unperturbated hfs separation in the presence of perturbing magnetic field. It is also demonstrated that there are other linear combinations which are linear with the external magnetic field and hence can be used to determine bound values of the electron and nuclear magnetic mom…
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.
The hyperfine structure (hfs) and the g factor of a bound electron are caused by external magnetic fields. For the hfs, the magnetic field is due to the nuclear spin. A uniform-in-space and constant-in-time magnetic field is used to probe the bound-electron g factor. The self-energy corrections to these effects are more difficult to evaluate than those to the Lamb shift. Here, we describe a numerical approach for both effects in the notoriously problematic regime of hydrogen-like bound systems with low nuclear charge numbers. The calculation is nonperturbative in the binding Coulomb field. Acc…
While attaining external field control of bimolecular chemical reactions has long been a coveted goal of physics and chemistry, the role of hyperfine interactions and dc magnetic fields in achieving such control has remained elusive. We develop an extended coupled-channel statistical theory of barrierless atom-diatom chemical reactions, and apply it to elucidate the effects of magnetic fields and hyperfine interactions on the ultracold chemical reaction Li($^2\text{S}_{1/2}$) + CaH($^2Σ^+$) $\to$ LiH($^1Σ^+$) + Ca($^1\text{S}_{0}$) on a newly developed set of ab initio potential energy surface…
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…
Two-photon transitions between atomic states of total electronic angular momentum $J_a=0$ and $J_b=1$ are forbidden when the photons are of the same energy. This selection rule is analogous to the Landau-Yang theorem in particle physics that forbids decays of vector particle into two photons. It arises because it is impossible to construct a total angular momentum $J_{2γ}=1$ quantum-mechanical state of two photons that is permutation symmetric, as required by Bose-Einstein statistics. In atoms with non-zero nuclear spin, the selection rule can be violated due to hyperfine interactions. Two dis…
Simple and efficient "λ-method" and "λ/2-method" (λis the resonant wavelength of laser radiation) based on nanometric-thickness cell filled with rubidium are implemented to study the splitting of hyperfine transitions of 85Rb and 87Rb D_1 line in an external magnetic field in the range of B = 0.5 - 0.7 T. It is experimentally demonstrated from 20 (12) Zeeman transitions allowed at low B-field in 85Rb (87Rb) spectra in the case of σ+ polarized laser radiation, only 6 (4) remain at B > 0.5 T, caused by decoupling of the total electronic momentum J and the nuclear spin momentum I (hyperfine Pasch…
Atomic quadrupole moments and hyperfine constants of the metastable $^2 D_{3/2, 5/2}$ states of Ca$^+$, Sr$^+$, Ba$^+$, Yb$^+$, and Hg$^+$ are calculated by the multiconfiguration Dirac-Hartree-Fock and relativistic configuration-interaction methods. For Hg$^+$, the configuration is $5d^9 6s^2$. For the other ions, the configuration consists of a single $d$-electron outside a set of closed shells. Current interest in the quadrupole moments of these states is due to the fact that optical transitions of these ions may be useful as references for frequency standards. Energy shifts of the metastab…
A generic scheme to trap atoms at the magic wavelengths ($λ_{\rm{magic}}$s) that are independent of vector and tensor components of the interactions of the atoms with the external electric field is presented. The $λ_{\rm{magic}}$s for the laser cooling D2 lines in the Rb and Cs atoms are demonstrated and their corresponding polarizability values without vector and tensor contributions are given. Consequently, these $λ_{\rm{magic}}$s are independent of magnetic sublevels and hyperfine levels of the atomic states involved in the transition, thus, can offer unique approaches to carry out many hig…
We demonstrate that it is possible to efficiently control ultracold chemical reactions of alkali-metal atoms colliding with open-shell alkali-metal dimers in their metastable triplet states by choosing the internal hyperfine and rovibrational states of the reactants as well as by inducing magnetic Feshbach resonances with an external magnetic field. We base these conclusions on coupled-channel statistical calculations that include the effects of hyperfine contact and magnetic-field-induced Zeeman interactions on ultracold chemical reactions of hyperfine-resolved ground-state Na and the triplet…
Atomic properties such as field shift constants, magnetic dipole and electric quadrupole hyperfine structure constants, Landé $g_J$ factors, and electric quadrupole moments that are described by electronic operators with different ranks and radial behaviors are studied and the role of electron correlation effects in their determination are investigated. We have adopted the Dirac-Hartree-Fock method, the second- and third-order relativistic many-body perturbation theories, and an all-order relativistic many-body method in the coupled-cluster theory framework considering only the linearized term…
