We consider the hyperfine structure, the atomic spectrum and the decay channels of the bound mu+ mu- system (dimuonium). The annihilation lifetimes of low-lying atomic states of the system lie in the nanosecond range range. The decay rates could be measured by detection of the decay products (high energy photons or electron-positron pairs). The hyperfine structure splitting of the dimuonic system and its decay rate are influenced by electronic vacuum polarization effects in the far time-like asymptotic region. This constitutes a previously unexplored kinematic regime. We evaluate next--to-leading order radiative corrections to the decay rate of low-lying atomic states. We also obtain order alpha^5 corrections to the hyperfine splitting of the 1S and 2S levels.
We perform accurate calculations of energy levels as well as fine and hyperfine splittings of the lowest $^{1,3}\!P_J$, $^{3}\!S_1$, $^{3}\!P^e_J$, and $^{1,3}\!D_J$ excited states of the $^9$Be atom using explicitly correlated Gaussian functions and report on the breakdown of the standard hyperfine structure theory. Because of the strong hyperfine mixing, which prevents the use of common hyperfine constants, we formulate a description of the fine and hyperfine structure that is valid for an arbitrary coupling strength and may have wide applications in many other atomic systems.
The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation approximation, we systematically analyzed correlation effects from each electrons and electron pairs. It was found that the core correlations are of importance for physical quantities concerned. Based on the analysis, the important configuration state wave functions were selected to constitute atomic state wave functions. By using this computational model, our excitatio…
We have employed the relativistic coupled cluster theory to calculate the magnetic dipole and electric quadrupole hyperfine constants for the ground and low lying excited states of singly ionized magnesium. Comparison with experimental and the other theoretical results are done and predictions are also made for a few low lying excited states which could be of interest. We have made comparative studies of the important many body effects contributing to the hyperfine constants for the different states of the ion.
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…
The hyperfine constants of the levels 2p2(3P)3s 4P_J, 2p2(3P)3p 4Po_J and 2p2(3P)3p 4Do_J, deduced by Jennerich et al. [Eur. Phys. J. D 40 (2006) 81] from the observed hyperfine structures of the transitions 2p2(3P)3s 4P_J - 2p2(3P)3p 4Po_J' and 2p2(3P)3s 4P_J - 2p2(3P)3p 4Do_J' recorded by saturation spectroscopy in the near-infrared, strongly disagree with the ab initio values of Jönsson et al. [J. Phys. B: At. Mol. Opt. Phys. 43 (2010) 115006]. We propose a new interpretation of the recorded weak spectral lines. If the latter are indeed reinterpreted as crossover signals, a new set of exper…
This work presents accurate {\it ab initio} determination of the magnetic dipole (M1) and electric quadrupole (E2) hyperfine structure constants for the ground and a few low-lying excited states in $^{67}$Zn$^{+}$, which is one of the interesting systems in fundamental physics. The coupled-cluster (CC) theory within the relativistic framework has been used here in this calculations. Long standing demands for a relativistic and highly correlated calculations like CC can be able to resolve the disagreements among the lifetime estimations reported previously for a few low-lying states of Zn$^{+}$…
We have produced laser-cooled Wigner crystals of 229Th3+ in a linear Paul trap. The magnetic dipole (A) and electric quadrupole (B) hyperfine constants for four low-lying electronic levels and the relative isotope shifts with respect to 232Th3+ for three low-lying optical transitions are measured. Using the hyperfine B constants in conjunction with prior atomic structure calculations, a new value of the spectroscopic nuclear electric quadrupole moment Q = 3.11(16) eb is deduced. These results are a step towards optical excitation of the low-lying isomer level in the 229Th nucleus.
We calculate energies and hyperfine structure constants A and B for low-lying levels of $^{173}$Yb. The latter is treated as a two-electron atom. To account for valence-valence correlations the configuration interaction method is used. Valence-core correlations are accounted for within the many-body perturbation theory which is used to construct effective two-electron operators in the valence space.
The thorium nucleus with mass number $A=229$ has attracted much interest because its extremely low lying first excited isomeric state at about $8$eV opens the possibility for the development of a nuclear clock. However, neither the exact energy of this nuclear isomer nor properties, such as nuclear magnetic dipole and electric quadrupole moment are known to a high precision so far. The latter can be determined by investigating the hyperfine structure of thorium atoms or ions. Due to its electronic structure and the long lifetime of the nuclear isomeric state, Th$^{2+}$ is especially suitable f…
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 (5…
A number of bound states properties and the hyperfine structure of the 23S(L=0)-state in the Be atom are determined from the results of highly accurate computations. The energies of the hyperfine structure levels for this state are ε(F=12) = -13725.635(7) MHz, ε(F=32) = -5490.254(7) MHz and ε(F=52) = 8235.381(7) MHz, respectively. The hyperfine structure splittings are Δ12 = 8235.381(7) MHz and Δ23 = 13725.635(7) MHz, respectively. The spectrum of low-lying (bound) triplet states in the Be atom is briefly investigated.
Hyperfine constants and anomalies of ground as well as few low lying excited states of $^{113,115,117}$In III are studied with highly correlated relativistic coupled-cluster theory. The ground state hyperfine splitting of $^{115}$In III is estimated to be 106.8 GHz. A shift of almost 1.9 GHz of the above frequency has been calculated due to modified nuclear dipole moment. This splitting result shows its applicability as communication band and frequency standards at $10^{-11}$ sec. Correlations study of hyperfine constants indicates a few distinct features of many-body effects in the wave-funct…
We carried out calculations of the energies and magnetic dipole hyperfine structure constants of the low-lying states of 233U^+ and 233U using two different approaches. With six valence electrons and a very heavy core, uranium represents a major challenge for precision atomic theory even using large-scale computational resources. The first approach combines configuration interaction (CI) with a method allowing us to include core-valence correlations to all orders of the perturbation theory over residual Coulomb interaction. The second approach is a pure CI method which allows the use of differ…
We employ a technique that combines the configuration interaction method with the singles-doubles coupled-cluster method to perform calculation of the energy levels, transition amplitudes, lifetimes, g-factors, and magnetic dipole and electric quadrupole hyperfine structure constants for many low-lying states of neutral actinium. We find very good agreement with existing experimental energy levels and make accurate predictions for missing levels. It has been noted that some of the levels have been previously misidentified; our analysis supports this claim. If spectroscopy is performed with act…
By combining a recent precise measurement of the ionization energy of $^{87}$Rb with previous measurements of electronic and hyperfine structure, an accurate value for the $^{85}\textrm{Rb}-^{87}\textrm{Rb}$ isotope shift of the 5$^2S_{1/2}$ ground state can be determined. In turn, comparison with additional spectroscopic data makes it possible for the first time to evaluate isotope shifts for the low-lying excited states, accurate in most cases to about 1 MHz. In a few cases, the specific mass shift contribution can be determined in addition to the total shift. This information is particularl…
This work presents a first time accurate calculation of the magnetic dipole hyperfine structure constants for the ground state and some low-lying excited states of Pb$^+$. By comparing different levels of approximation with experimental results, we demonstrate the importance of correlation effects which reach beyond lower order relativistic many body perturbation theory. Employing relativistic coupled-cluster theory we obtain a quantitative understanding of the core-polarization and correlation effects inherent in this system and observe completely different trends compared to $Ba^+$.
We report the first experimental determination of the hyperfine quenching rate of the $6s^2\ ^1\!S_0\ (F=1/2) - 6s6p\ ^3\!P_0\ (F=1/2)$ transition in $^{171}$Yb with nuclear spin $I=1/2$. This rate determines the natural linewidth and the Rabi frequency of the clock transition of a Yb optical frequency standard. Our technique involves spectrally resolved fluorescence decay measurements of the lowest lying $^3\!P_{0,1}$ levels of neutral Yb atoms embedded in a solid Ne matrix. The solid Ne provides a simple way to trap a large number of atoms as well as an efficient mechanism for populating $^3…
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 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…
Hyperfine structures of $^{211}$Fr due to the interactions of magnetic dipole ($μ$), electric quadrupole ($Q$) and magnetic octupole ($Ω$) moments with the electrons are investigated using the relativistic coupled-cluster (RCC) theory with an approximation of singles, doubles and important valence triples excitations in the perturbative approach. Validity of our calculations are substantiated by comparing the results with their available experimental values. Its $Q$ value has also been elevated by combining the measured hyperfine structure constant of the $7p \ ^2P_{3/2}$ state with our improv…
We have performed high-resolution two-photon dark-state spectroscopy of an ultracold gas of Rb molecules in the triplet ground state at a magnetic field of about 1000 G. The vibrational ladder as well as the hyperfine and low-lying rotational structure is mapped out. Energy shifts in the spectrum are observed due to singlet-triplet mixing at binding energies as deep as a few hundred GHz x h. This information together with data from other sources is used to optimize the potentials of the triplet and singlet states in a coupled-channel model. We find that the hyperfine structure depends weakly o…
The low-lying n(=3,4,5)d $^2D_{5/2}$ states alkaline earth ions are of vital importance in a number of different physical applications. The hyperfine structure constants of these states are characterized by unusually strong electron correlation effects. Relativistic coupled-cluster theory has been employed to carry out {\it ab initio} calculations of these constants. The role of the all order core-polarization effects was found to be decisive in obtaining good agreement of the results of our calculations with accurate measurements. The present work is an apt demonstration of the power of the c…
We perform high resolution spectroscopy on $^{176}$Lu$^+$ including the $^1S_0\leftrightarrow{^3}D_1$ and $^1S_0\leftrightarrow{^3}D_2$ clock transitions. Hyperfine structures and optical frequencies relative to the $^1S_0$ ground state of four low lying excited states are given to a few tens of kHz resolution. This covers the most relevant transitions involved in clock operation with this isotope. Additionally, measurements of the $^3D_2$ hyperfine structure may provide access to higher order nuclear moments, specifically the magnetic octupole and electric hexadecapole moments.
The magnetic hyperfine structure constants have been calculated for low-lying levels in neutral gold atom and gold-like ion of mercury taking into account Bohr--Weisskopf (BW) effect. BW effect is represented as a product of atomic and nuclear ($d_\mathrm{nuc}$) factors. We have calculated the atomic factors, which enable one to extract BW-correction values for far from stability gold nuclei from the experimental data. The possible uncertainty of our atomic calculations have been estimated by the comparison with the available experimental data. It has been shown that the standard single-partic…
The four-component relativistic Fock space coupled cluster method is used to describe the magnetic hyperfine interaction in low-lying electronic states of the KCs molecule. Both diagonal and off-diagonal matrix elements as functions of the internuclear separation $R$ are calculated within the finite-field scheme. The resulting matrix elements exhibit very weak dependence on $R$ for the separations exceeding 8 Å, whereas in the vicinity of the ground-state equilibrium the deviation of molecular HFS matrix elements from the atomic values reaches 15\%. The dependence of the computed HFS couplings…
We demonstrate the importance of electron correlation effects in the hyperfine structure constants of many low-lying states in $^{210}$Fr and $^{212}$Fr. This is achieved by calculating the magnetic dipole and electric quadrupole hyperfine structure constants using the Dirac-Fock approximation, second order many-body perturbation theory and the coupled-cluster method in the singles and doubles approximation in the relativistic framework. By combining our recommended theoretical results with the corresponding experimental values, improved nuclear magnetic dipole and electric quadrupole moments …
The bound state spectrum of low-lying triplet states in the Be atom is investigated. In particular, we perform accurate computations of various bound triplet S, P, D, F, and G states in the four-electron Be atom. For the 23S(L=0) state in the Be atom we determine the hyperfine structure and a number of bound states properties by using results of highly accurate computations. The energies of the hyperfine structure levels for this state are ε(F=12) = -13725.927(7) MHz, ε(F=32) = -5490.371(7) MHz and ε(F=52) = 8235.556(7) MHz, respectively. The observed hyperfine structure splittings for the the…
Laser spectroscopy of the low lying $^1$P and $^3$D states in atomic barium has been performed. This work contributes substantially to the development of an effective laser cooling and trapping for heavy alkaline earth elements and aims in particular for a better understanding of the atomic wave function of these systems. Isotope shifts and hyperfine structures are ideal probes for the wave functions at the position of the nucleus. This is essential input for a theoretical evaluation of the sensitivity to fundamental symmetry breaking properties like permanent electric dipole moments. We repor…
This work is an ab initio study of the 2p3 4So_3/2, and 2Do_{3/2,5/2} states of C- and 2p2 3P_{0,1,2}, 1D_2, and 1S_0 states of neutral carbon. We use the multi-configuration Hartree-Fock approach, focusing on the accuracy of the wave function itself. We obtain all C- detachment thresholds, including correlation effects to about 0.5%. Isotope shifts and hyperfine structures are calculated. The achieved accuracy of the latter is of the order of 0.1 MHz. Intra-configuration transition probabilities are also estimated.
We have investigated the correction to the hyperfine structure of heavy multicharged ions, which is connected with the nuclear-polarization effect caused by the unpaired bound electron. Numerical calculations are performed for hydrogenlike ions taking into account the dominant collective nuclear excitations. The correction defines the ultimate limit of precision in accurate theoretical predictions of the hyperfine-structure splittings.
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）
We present tables for the bound-state energies for atomic hydrogen. The tabulated energies include the hyperfine structure, and thus this work extends the work of Rev. Mod. Phys. {\bf 84}, 1527 (2012), which excludes hyperfine structure. The tabulation includes corrections of the hyperfine structure due to the anomalous moment of the electron, due to the finite mass of the proton, and due to off-diagonal matrix elements of the hyperfine Hamiltonian. These corrections are treated incorrectly in most other works. Simple formulas valid for all quantum numbers are presented for the hyperfine corre…
In this work, we consider the thermal correction to the hyperfine interaction in hydrogen, deuterium, and the $^3$He$^+$ ion. This correction is effectively described by one-loop Feynman graphs in the framework of the quantum electrodynamics theory for bound states at a finite temperature. A simple analysis shows the importance of the obtained results for future prospects for measuring hyperfine splitting. In addition, the application for testing the time variation of fundamental constants is briefly discussed.
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…
Symmetry has imposed very strong constraints on the structures of internal wave functions and on the accessibility of outgoing channels. Based on symmetry consideration, the existence of a number of bound excited states and low-lying resonances has been suggested.
A high-precision numerical calculation is reported for the self-energy correction to the hyperfine splitting and to the bound-electron g factor in hydrogenlike ions with low nuclear charge numbers. The binding nuclear Coulomb field is treated to all orders, and the nonperturbative remainder beyond the known $Zα$-expansion coefficients is determined. For the $^3{\rm He}^+$ ion, the nonperturbative remainder yields a contribution of -450 Hz to the normalized difference of the 1S and 2S hyperfine-structure intervals, to be compared with the experimental uncertainty of 71 Hz and with the theoretic…
The hyperfine structure splittings are determined for all five bound $S(L = 0)-$states in the three symmetric muonic molecular ions: $ppμ, ddμ$ and $ttμ$. The expectation values of all interparticle delta-functions used in our calculations have been determined in recent highly accurate computations.
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…
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…
We consider the most accurate tests of bound state QED theory of the hyperfine splitting in two-body atoms related to the HFS interval of the 1s state in muonium and positronium and the 2s state in hydrogen, deuterium and the helium-3 ion. We summarize their QED theory and pay special attention to involved effects of strong interactions and to recent optical measurements of the 2s HFS interval in hydrogen and deuterium. We present results for specific ratios of the 1s-2s frequencies in hydrogen and deuterium which happen to be among the most accurately measured and calculated quantities.
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…
Determination of nuclear quadrupole moments for $^{25}$Mg, $^{87}$Sr, and $^{135,137}$Ba via configuration-interaction combined with a coupled-cluster approach
An analytical expression for the lower bound of the average number of hyperfine component $μ=0$ particles in the ground state of spin-1 condensates (denoted as $\overset{\_\_}{ρ_{0}}$) under a magnetic field has been derived. In the derivation the total magnetization $M$ is kept rigorously conserved. Numerical examples are given to show the applicability of the analytical expression. It was found that, in a broad domain of parameters specified in the paper, the lower bound is very close to the actual $\overset{\_\_}{ρ_{0}}$. Thereby, in this domain, $\overset{\_\_}{% ρ_{0}}$ can be directly ev…
The hyperfine structure (HFS) of a bound electron is modified by the self-interaction of the electron with its own radiation field. This effect is known as the self-energy correction. In this work, we discuss the evaluation of higher-order self-energy corrections to the HFS of bound P states. These are expressed in a semi-analytic expansion involving powers of Zalpha and ln(Zalpha), where Z is the nuclear charge number and alpha is the fine-structure constant. We find that the correction of relative order alpha (Zalpha)^2 involves only a single logarithm ln(Zalpha) for P_1/2 states [but no ter…
We describe a method for determining the radiative decay properties of a molecule by studying the saturation of laser-induced fluorescence and the associated power broadening of spectral lines. The fluorescence saturates because the molecules decay to states that are not resonant with the laser. The amplitudes and widths of two hyperfine components of a spectral line are measured over a range of laser intensities and the results compared to a model of the laser-molecule interaction. Using this method we measure the lifetime of the A(v'=0) state of CaF to be tau=19.2 \pm 0.7 ns, and the Franck-…
Two recent experimental observations at the ATOMKI Institute of the Hungarian Academy of Sciences (regarding the angular emission pattern of electron-positron pairs from nuclear transitions from excited states in 8Be and 4He) indicate the possible existence of a particle of a rest mass energy of roughly 17 MeV. The so-called X17 particle constitutes a virtual state in the process, preceding the emission of the electron-positron pair. Based on the symmetry of the nuclear transitions ($1^+$ to $0^+$ and $0^-$ to $0^+$), the X17 could either be a vector, or a pseudoscalar particle. Here, we calcu…
Nuclear quadrupole moments ($Q$s) in three isotopes of potassium (K) with atomic mass numbers 39, 40 and 41 are evaluated more precisely in this work. The $Q$ value of $^{39}$K is determined to be 0.0614(6) $b$ by combining the available experimental result of the electric quadrupole hyperfine structure constant ($B$) with our calculated $B/Q$ result of its $4P_{3/2}$ state. Furthermore combining this $Q$ value with the measured ratios $Q$($ ^{40}$K)$/Q$($ ^{39}$K) and $Q$($ ^{41}$K)$/Q$($ ^{39}$K), we obtain $Q$($ ^{40}$K)$=-0.0764(10) \ b$ and $Q$($ ^{41}$K)$=0.0747(10) \ b$, respectively. T…
We present the current status for the direct measurement of the positronium hyperfine structure using the $\text{2}^\text{3}\text{S}_\text{1} \rightarrow \text{2}^\text{1}\text{S}_\text{0}$ transition. This experiment, currently being commissioned at the slow positron beam facility at ETH Zurich, will be the first measurement of this transition and the first positronium hyperfine splitting experiment conducted in vacuum altogether. This experiment will be free of systematic effects found in earlier experiments, namely the inhomogeneity in static magnetic fields and the extrapolation from dense…
Energies of the low-lying bound S-states (L=0) of exotic three-body systems, consisting a nuclear core of charge +Ze (Z being atomic number of the core) and two negatively charged valence muons, have been calculated by hyperspherical harmonics expansion method (HHEM). The three-body Schrődinger equation is solved assuming purely Coulomb interaction among the binary pairs of the three-body systems X$^{Z+}μ^-μ^-$ for Z=1 to 54. Convergence pattern of the energies have been checked with respect to the increasing number of partial waves $Λ_{max}$. For available computer facilities, calculations ar…
Based on the results of accurate variational calculations we demonstrate stability of the five-body negatively charged ions $a^{+} b^{+} μ^{-} e^{-} e^{-}$. Each of these five-body ions contains two electrons $e^{-}$, one negatively charged muon $μ^{-}$ and two nuclei of the hydrogen isotopes $a, b = (p, d, t)$. The bound state properties of these five-body ions, including their hyperfine structure, are briefly discussed. We also investigate the hyperfine structure of the ground states of the four-body muonic quasi-atoms $a^{+} b^{+} μ^{-} e^{-}$. In particular, we determine the hyperfine stru…
