In sudden perturbation approximation, the probability of the shake-up process accompanying inner-shell ionization is calculated for the isoelectronic sequences of Li-, Na- and K-like ions in the ground and excited $n$p and $n$d states. Numerical solutions of Hartree-Fock equations and hydrogen-like radial orbitals are used. Very large differences between the results of both approximations for all ions and strong dependences on ion charge are obtained at the beginning of the isoelectronic sequences.
The electron shakeoff of $^{35}$Cl atoms resulting from the $β$$^+$ decay of $^{35}$Ar$^+$ ions has been investigated using a Paul trap coupled to a recoil-ion spectrometer. The charge-state distribution of the recoiling daughter nuclei is compared to theoretical calculations accounting for shakeoff and Auger processes. The calculations are in excellent agreement with the experimental results and enable to identify the ionization reaction routes leading to the formation of all charge states.
Ionization of light atoms and ions during the nuclear $β^{-}$-decay is considered. To determine the final state probabilities of electron ionization we have developed a procedure based on the natural orbital expansions for the bound state wave functions of all atoms/ions involved in this process.
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.
The influence of nuclear polarization on the bound-electron $g$ factor in heavy hydrogenlike ions is investigated. Numerical calculations are performed for the K- and L-shell electrons taking into account the dominant virtual nuclear excitations. This determines the ultimate limit for tests of QED utilizing measurements of the bound-electron $g$ factor in highly charged ions.
The nuclear recoil effect on the ground-state $g$ factor of highly charged boronlike ions is considered within the relativistic framework. The interelectronic-interaction contribution is evaluated within the Breit approximation employing two independent approaches: the second-order perturbation theory and the configuration-interaction Dirac-Fock-Sturm method. The uncertainty of the nuclear recoil $g$-factor contributions is significantly reduced, especially for low- and middle-$Z$ ions.
The fully relativistic theory of the g factor of Li-like ions with nonzero nuclear spin is considered for the (1s)^2 2s state. The magnetic-dipole hyperfine-interaction correction to the atomic g factor is calculated including the one-electron contributions as well as the interelectronic-interaction effects of order 1/Z. This correction is combined with the interelectronic-interaction, QED, nuclear recoil, and nuclear size corrections to obtain high-precision theoretical values for the g factor of Li-like ions with nonzero nuclear spin. The results can be used for a precise determination of nu…
The nuclear magnetic shielding is considered within the fully relativistic approach for the ground state of H-, Li-, and B-like ions in the range Z=32-92. The interelectronic interaction is evaluated to the first order of the perturbation theory in Li- and B-like ions. The calculations are based on the finite-field method. The numerical solution of the Dirac equation with the magnetic-field and hyperfine interactions included within the dual-kinetic-balance method is employed. The nuclear magnetic shielding constant is an important ingredient for accurate determination of the nuclear magnetic …
A systematic investigation of the nuclear-polarization effects in one- and few-electron heavy ions is presented. The nuclear-polarization corrections in the zeroth and first orders in $1/Z$ are evaluated to the binding energies, the hyperfine splitting, and the bound-electron g factor. It is shown, that the nuclear-polarization contributions can be substantially canceled simultaneously with the rigid nuclear corrections. This allows for new prospects for probing the QED effects in strong electromagnetic field and the determination of fundamental constants.
The finite nuclear size corrections to the relativistic recoil effect in H-like ions are calculated within the Breit approximation. The calculations are performed for the $1s$, $2s$, and $2p_{1/2}$ states in the range $Z =$ 1-110. The obtained results are compared with previous evaluations of this effect. It is found that for heavy ions the previously neglected corrections amount to about 20% of the total nuclear size contribution to the recoil effect calculated within the Breit approximation.
Nuclear-spin-dependent (NSD) parity violating (PV) effects can be strongly enhanced in diatomic molecules containing heavy atoms. Future measurements are anticipated to provide nuclear anapole moments and strength constants for PV nuclear forces. In light molecules, the NSD electroweak electron-nucleus interaction may also be detected. Here we calculate NSD PV effects for molecular ions. Our calculations are motivated by rapid developments in trapping techniques for such systems at low temperatures.
The nuclear recoil correction to the g factor of boronlike ions is evaluated within the lowest-order relativistic (Breit) approximation. The interelectronic-interaction effects are taken into account to the first order of the perturbation theory in 1/Z. Higher orders in 1/Z are partly accounted for by means of the effective screening potential. The most accurate up-to-date values of this contribution are presented for the ions in the range Z=10-20.
A method is proposed to determine the $M1$ nuclear transition amplitude and hence the lifetime of the "nuclear clock transition" between the low-lying ($\sim 8$ eV) first isomeric state and the ground state of $^{229}$Th from a measurement of the ground-state $g$ factor of few-electron $^{229}$Th ions. As a tool, the effect of nuclear hyperfine mixing (NHM) in highly charged $^{229}$Th-ions such as $^{229}$Th$^{89+}$ or $^{229}$Th$^{87+}$ is utilized. The ground-state-only $g$-factor measurement would also provide first experimental evidence of NHM in atomic ions. Combining the measurements fo…
The quantum electrodynamical theory of the three-photon transitions in hydrogen-like ions is presented. Emission probabilities of various three-photon decay channels for $ 2p_{3/2} $, $ 2p_{1/2} $ and $ 2s_{1/2} $ states are calculated for the nuclear charge $Z$ values $1\leqslant Z \leqslant 95$. The results are given in two different gauges. The fully relativistic three-photon decay rates of hydrogen-like ions with half-integer nuclear spin are given for transitions between fine structure components. The results can be applied to the tests of the Bose-Einstein statistics for the multiphoton …
The nuclear shape correction to the g factor of a bound electron in 1S-state is calculated for a number of nuclei in the range of charge numbers from Z=6 up to Z=92. The leading relativistic deformation correction has been derived analytically and also its influence on one-loop quantum electrodynamic terms has been evaluated. We show the leading corrections to become significant for mid-Z ions and for very heavy elements to even reach the 10^(-6) level.
The nuclear recoil effect on the g factor of highly charged Li-like ions is evaluated in the range Z=10-92. The calculations are performed using the 1/Z perturbation theory. The one-electron recoil contribution is evaluated within the fully relativistic approach with the wave functions which account for the screening effects approximately. The two-electron recoil contributions of the first and higher orders in 1/Z are calculated within the Breit approximation using a four-component approach.
The nuclear recoil effect on the $g$ factor of the ground state of highly charged B-like ions is studied to first order in the electron-to-nucleus mass ratio $m/M$. The leading one-electron and two-electron recoil contributions are calculated nonperturbatively in the parameter $αZ$ within the rigorous QED formalism. The interelectronic-interaction correction to the nuclear recoil effect is evaluated in the Breit approximation by means of perturbation theory to the first order in $1/Z$. The higher-order interelectronic-interaction corrections are taken into account partially by performing the c…
Nuclear deformation effects on the binding energies in heavy ions are investigated. Approximate formulas for the nuclear-size correction and the isotope shift for deformed nuclei are derived. Combined with direct numerical evaluations, these formulas are employed to reanalyse experimental data on the nuclear-charge-distribution parameters in $^{238}\textrm{U}$ and to revise the nuclear-size corrections to the binding energies in H- and Li-like $^{238}\textrm{U}$. As a result, the theoretical uncertainties for the ground-state Lamb shift in $^{238}\textrm{U}^{91+}$ and for the $2p_{1/2}-2s$ tra…
The hyperfine splitting in hydrogenlike $^{209}$Bi, $^{203}$Tl, and $^{205}$Tl is calculated with the nuclear magnetization determined from experimental data on the hyperfine splitting in the corresponding muonic atoms. The single-particle and configuration-mixing nuclear models are considered. The QED corrections are taken into account for both electronic and muonic atoms. The obtained results are compared with other calculations and with experiment.
We use correlation potential and many-body perturbation theory techniques to calculate spin-independent and nuclear spin-dependent parts of the parity nonconserving amplitudes of the transitions between the $6s_{1/2}$ ground state and the $5d_{3/2}$ excited state of Ba$^+$ and Yb$^+$ and between the $7s_{1/2}$ ground state and the $6d_{3/2}$ excited state of Ra$^+$. The results are presented in a form convenient for extracting of the constants of nuclear-spin-dependent interaction (such as, e.g., anapole moment) from the measurements.
The ground state hyperfine splitting values of high Z hydrogenlike ions are calculated. The relativistic, nuclear and QED corrections are taken into account. The nuclear magnetization distribution correction (the Bohr-Weisskopf effect) is evaluated within the single particle model with the g_{S}-factor chosen to yield the observed nuclear moment. An additional contribution caused by the nuclear spin-orbit interaction is included in the calculation of the Bohr-Weisskopf effect. It is found that the theoretical value of the wavelength of the transition between the hyperfine splitting components …
Electronic bridge excitation of the 76 eV nuclear isomeric state in $^{235}$U is shown to be strongly enhanced in the U$^{7+}$ ion, potentially enabling laser excitation of this nucleus. This is because the electronic spectrum has a very high level density near the nuclear transition energy that ensures the resonance condition is fulfilled. We present a quantum statistical theory based on many-body quantum chaos to demonstrate that typical values for the electronic factor increase the probability of electronic bridge in $^{235}$U$^{7+}$ by many orders of magnitude. We also extract the nuclear …
The total two-photon decay rate of hydrogen-like ions is studied using relativistic quantum electrodynamics. In particular, we analyse how finite nuclear size and QED vacuum polarization corrections affect the decay rate. To calculate these corrections, a finite basis set method based on $B$-splines is used for the generation of quasi-complete atomic spectra and, hence, of the relativistic Green's function. By making use of this $B$-spline approach, high precision calculations have been performed for the $2s_{1/2} \to 1s_{1/2} + 2γ$ and $2p_{1/2} \to 1s_{1/2} + 2γ$ decay of hydrogen-like ions …
The nuclear recoil effect on the $^2 P_{3/2}$-state $g$ factor of B-like ions is calculated to first order in the electron-to-nucleus mass ratio $m/M$ in the range $Z=18$--$92$. The calculations are performed by means of the $1/Z$ perturbation theory. Within the independent-electron approximation, the one- and two-electron recoil contributions are evaluated to all orders in the parameter $αZ$ by employing a fully relativistic approach. The interelectronic-interaction correction of first order in $1/Z$ is treated within the Breit approximation. Higher orders in $1/Z$ are partially taken into ac…
Relativistic calculations of the isotope shifts of energy levels in highly charged Li-like ions are performed. The nuclear recoil (mass shift) contributions are calculated by merging the perturbative and large-scale configuration-interaction Dirac-Fock-Sturm (CI-DFS) methods. The nuclear size (field shift) contributions are evaluated by the CI-DFS method including the electron-correlation, Breit, and QED corrections. The nuclear deformation and nuclear polarization corrections to the isotope shifts in Li-like neodymium, thorium, and uranium are also considered. The results of the calculations …
QED corrections to the $g$ factor of Li-like and B-like ions in a wide range of nuclear charges are presented. Many-electron contributions as well as radiative effects on the one-loop level are calculated. Contributions resulting from the interelectronic interaction, the self-energy effect, and most of the terms of the vacuum-polarization effect are evaluated to all orders in the nuclear coupling strength $Zα$. Uncertainties resulting from nuclear size effects, numerical computations, and uncalculated effects are discussed.
The Dirac Hamiltonian including nuclear recoil and vacuum-polarization operators is considered in a supercritical regime Z > 137. It is found that the nuclear recoil operator derived within the Breit approximation regularizes the Hamiltonian for the point-nucleus model and allows the ground state level to go continuously down and reach the negative energy continuum at a critical value Zcr = 145. If the Hamiltonian contains both the recoil operator and the Uehling potential, the 1s level reaches the negative energy continuum at Zcr = 144. The corresponding calculations for the excited states ha…
Accurate calculations of the nuclear recoil effect to the Lamb shift of hydrogen-like atoms are presented. Numerical results are reported for the $ns$ states with $n \leq 5$ and for the $2p_{1/2}$ and $2p_{3/2}$ states. The calculations are performed to the first order in the electron-nucleus mass ratio and to all orders in the nuclear binding strength parameter $Zα$ (where $Z$ is the nuclear charge number and $α$ is the fine structure constant). The obtained results provide accurate predictions for the higher-order remainder beyond the known $Zα$-expansion terms. In the case of hydrogen, the …
The hyperfine splitting of the ground state of H-, Li-, and B-like ions is investigated in details within the range of nuclear numbers Z = 7-28. The rigorous QED approach together with the large-scale configuration-interaction Dirac-Fock-Sturm method are employed for the evaluation of the interelectronic-interaction contributions of first and higher orders in 1/Z. The screened QED corrections are evaluated to all orders in (αZ) utilizing an effective potential approach. The influence of nuclear magnetization distribution is taken into account within the single-particle nuclear model. The speci…
Large-scale {\em ab initio} QED calculations are performed for the $2p_{3/2}$--$2p_{1/2}$ fine-structure interval of Li-like ions with nuclear charges $Z = 5\,$--$\,92$. Improved theoretical predictions are obtained by combining together two complementary theoretical methods, namely, the approach that accounts for all orders in the binding nuclear strength and the nonrelativistic QED approach that accounts for all orders in the nonrelativistic electron-electron interaction. The resulting unified approach provides theoretical predictions which are more accurate than the available experimental r…
The two-loop self-energy correction to the Lamb shift of hydrogen-like ions is calculated for the $1s$, $2s$, and $2p_{1/2}$ states and nuclear charge numbers $Z = 30$-$100$. The calculation is performed to all orders in the nuclear binding strength parameter $Zα$. As compared to previous calculations of this correction, numerical accuracy is improved by an order of magnitude and the region of the nuclear charges is extended. An analysis of the $Z$-dependence of the obtained results demonstrates their consistency with the known $Zα$-expansion coefficients.
High-precision QED calculations of the ground-state ionization energies are performed for all boronlike ions with the nuclear charge numbers in the range $16 \leqslant Z\leqslant 96$. The rigorous QED calculations are performed within the extended Furry picture and include all many-electron QED effects up to the second order of the perturbation theory. The contributions of the third- and higher-order electron-correlation effects are accounted for within the Breit approximation. The nuclear recoil and nuclear polarization effects are taken into account as well. In comparison with the previous e…
The hyperfine splitting of the ground state of selected B-like ions within the range of nuclear charge numbers $Z=49-83$ is investigated in detail. The rigorous QED approach together with the large-scale configuration-interaction Dirac-Fock-Sturm method are employed for the evaluation of the interelectronic-interaction contributions of first and higher orders in $1/Z$. The screened QED corrections are evaluated to all orders in $αZ$ by using an effective potential. The influence of nuclear magnetization distribution is taken into account within the single-particle nuclear model.
Nuclear-size correction to the one-loop self-energy in hydrogenlike ions
Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences（中国科学院精密测量科学与技术创新院）；University of Chinese Academy of Sciences（中国科学院大学）；Department of Physics, St. Petersburg State University（圣彼得堡国立大学物理系）
A model-operator approach to fully relativistic calculations of the nuclear recoil effect on energy levels in many-electron atomic systems is worked out. The one-electron part of the model operator for treating the normal mass shift beyond the Breit approximation is represented by a sum of semilocal and nonlocal potentials. The latter ones are constructed by employing the diagonal and off-diagonal matrix elements rigorously evaluated for hydrogenlike ions to first order in the electron-to-nucleus mass ratio. The specific mass shift beyond the lowest-order relativistic approximation has a form …
The paper presents the current status of the theory of bound-electron g factor in highly charged ions. The calculations of the relativistic, QED, nuclear recoil, nuclear structure, and interelectronic-interaction corrections to the g factor are reviewed. Special attention is paid to tests of QED effects at strong coupling regime and determinations of the fundamental constants.
The variation in mean-square nuclear charge radius of xenon isotopes was measured utilizing a new method based on extreme ultraviolet spectroscopy of highly charged Na-like ions. The isotope shift of the Na-like D1 (3s $^{2}$S$_{1/2}$ - 3p $^2$P$_{1/2}$) transition between the $^{124}$Xe and $^{136}$Xe isotopes was experimentally determined using the electron beam ion trap facility at the National Institute of Standards and Technology. The mass shift and the field shift coefficients were calculated with enhanced precision by relativistic many-body perturbation theory and multi-configuration Di…
The most precise to-date evaluation of the nuclear recoil effect on the $n=1$ and $n=2$ energy levels of He-like ions is presented in the range $Z=12-100$. The one-electron recoil contribution is calculated within the framework of the rigorous QED approach to first order in the electron-to-nucleus mass ratio $m/M$ and to all orders in the parameter $αZ$. The two-electron $m/M$ recoil term is calculated employing the $1/Z$ perturbation theory. The recoil contribution of the zeroth order in $1/Z$ is evaluated to all orders in $αZ$, while the $1/Z$ term is calculated using the Breit approximation…
Isotope shifts of the 2$p_{3/2}$-2$p_{1/2}$ transition in B-like ions are evaluated for a wide range of the nuclear charge number: Z=8-92. The calculations of the relativistic nuclear recoil and nuclear size effects are performed using a large scale configuration-interaction Dirac-Fock-Sturm method. The corresponding QED corrections are also taken into account. The results of the calculations are compared with the theoretical values obtained with other methods. The accuracy of the isotope shifts of the 2$p_{3/2}$-2$p_{1/2}$ transition in B-like ions is significantly improved.
Simultaneous Determination of Multiple Nuclear Parameters of $^{229}$Th Using Highly Charged Ions
State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Innovation Academy for Precision Measurement Science and Technology, Chinese Academy of Sciences（中国科学院精密测量科学与技术创新研究院武汉物理与数学研究所磁共振与原子分子物理国家重点实验室）；University of Chinese Academy of Sciences（中国科学院大学）；Department of Physics, University of New Brunswick（新不伦瑞克大学物理系）
Results of a calculation valid to all orders in the nuclear-strength parameter Zαare presented for the two-loop Lamb shift, notably for the two-loop self-energy correction, for the ground and first excited states of ions with the nuclear charge numbers Z=60-100. A detailed comparison of the all-order calculation with earlier investigations based on an expansion in the parameter Zαis given. The calculation removes the largest theoretical uncertainty for the 2p_j-2s transition energies in heavy Li-like ions and is important for interpretation of experimental data.
The shielding of the nuclear magnetic moment by the bound electron in hydrogen-like ions is calculated ab initio with inclusion of relativistic, nuclear, and quantum electrodynamics (QED) effects. The QED correction is evaluated to all orders in the nuclear binding strength parameter and, independently, to the first order in the expansion in this parameter. The results obtained lay the basis for the high-precision determination of nuclear magnetic dipole moments from measurements of the g-factor of hydrogen-like ions.
Ab initio QED calculations of the ground-state binding energies of berylliumlike ions are performed for the wide range of the nuclear charge number: Z=18-96. The calculations are carried out in the framework of the extended Furry picture starting with three different types of the screening potential. The rigorous QED calculations up to the second order of the perturbation theory are combined with the third- and higher-order electron-correlation contributions obtained within the Breit approximation by the use of the large-scale configuration-interaction Dirac-Fock-Sturm method. The effects of n…
We present an ab initio calculation of the screened self-energy correction for (1s)^2 2p3/2 and (1s)^2 2s states of Li-like ions with nuclear charge numbers in the range Z = 12-100. The evaluation is carried out to all orders in the nuclear-strength parameter Z α. This investigation concludes our calculations of all two-electron QED corrections for the 2p3/2-2s transition energy in Li-like ions and thus considerably improves theoretical predictions for this transition for high-Z ions.
Dirac equation for an electron bound by a nucleus in the presence of external axially symmetric field can be solved numerically by using the dual-kinetic-balance conditions imposed on the finite basis set (A-DKB method [Rozenbaum et al, Phys. Rev. A 89, 012514 (2014)]). We present the application of this method to describe helium-like ions exposed to homogeneous external magnetic field. The second-order Zeeman shift and the nuclear magnetic shielding constant are evaluated for the ground state, including the leading contribution of the interelectronic interaction. The A-DKB values are compared…
We have estimated the size of the light-shifts due to parity nonconservation (PNC) interactions in different isotopes of Ba+ and Ra+ ions based on the work of Fortson [Phys. Rev. Lett. 70, 2383 (1993)]. We have used the nuclear spin independent (NSI) amplitudes calculated earlier by us [Phys. Rev. Lett. 96, 163003 (2006); Phys. Rev. A 78, 050501(R) (2008)] and we have employed the third order many-body perturbation theory (MBPT(3)) in this work to estimate the nuclear spin dependent (NSD) amplitudes in these ions. Ra+ is found to be more favourable than Ba+ for measuring both the NSI and NSD P…
We report an ab initio calculation of the shielding of the nuclear magnetic moment by the bound electron in hydrogen-like ions. This investigation takes into account several effects that have not been calculated before (electron self-energy, vacuum polarization, nuclear magnetization distribution), thus bringing the theory to the point where further progress is impeded by the uncertainty due to nuclear-structure effects. The QED corrections are calculated to all orders in the nuclear binding strength parameter and, independently, to the leading order in the expansion in this parameter. The res…
In heavy atoms and ions, nuclear structure effects are significantly enhanced due to the overlap of the electron wave functions with the nucleus. This overlap rapidly increases with the nuclear charge $Z$. We study the energy level shifts induced by the electric dipole and electric quadrupole nuclear polarization effects in atoms and ions with $Z \geq 20$. The electric dipole polarization effect is enhanced by the nuclear giant dipole resonance. The electric quadrupole polarization effect is enhanced because the electrons in a heavy atom or ion move faster than the rotation of the deformed nuc…
The quantum electrodynamical theory of the two-photon transitions in hydrogenlike ions is presented. The emission probability for 2s1/2 -> 2E1+1s1/2 transitions is calculated and compared to the results of the previous calculations. The emission probabilities 2p12 -> E1E2+1s1/2 and 2p1/2 -> E1M1+1s1/2 are also calculated for the nuclear charge Z values 1-100. This is the first calculation of the two latter probabilities. The results are given in two different gauges.
We investigate the resonant process of nuclear excitation by electron capture, in which a continuum electron is captured into a bound state of an ion with the simultaneous excitation of the nucleus. In order to derive the cross section a Feshbach projection operator formalism is introduced. Nuclear states and transitions are described by a nuclear collective model and making use of experimental data. Transition rates and total cross sections for NEEC followed by the radiative decay of the excited nucleus are calculated for various heavy ion collision systems.
Dielectronic recombination (DR) of few-electron ions has evolved into a sensitive spectroscopic tool for highly charged ions. This is due to technological advances in electron-beam preparation and ion-beam cooling techniques at heavy-ion storage rings. Recent experiments prove unambiguously that DR collision spectroscopy has become sensitive to 2nd order QED and to nuclear effects. This review discusses the most recent developments in high-resolution spectroscopy of low-energy DR resonances, experimental studies of KLL DR of very heavy hydrogenlike ions, isotope shift measurements of DR resona…
The nuclear recoil effect on the $g$ factor of H- and Li-like heavy ions is evaluated to all orders in $αZ$. The calculations include an approximate treatment of the nuclear size and the electron-electron interaction corrections to the recoil effect. As the result, the second largest contribution to the theoretical uncertainty of the $g$-factor values of $^{208}$Pb$^{79+}$ and $^{238}$U$^{89+}$ is strongly reduced. Special attention is paid to tests of the QED recoil effect on the $g$ factor in experiments with heavy ions. It is found that, while the QED recoil effect on the $g$-factor value i…
Two-photon E1M1 transition rates are evaluated for heliumlike ions with nuclear charges in the range Z = 50-94. The two-photon rates modify previously published lifetimes/transition rates of 2 3P0 states. For isotopes with nuclear spin I not equal 0, where hyperfine quenching dominates the 2 3P0 decay, two-photon contributions are significant; for example, in heliumlike 187 Os the two-photon correction is 3% of the total rate. For isotopes with I= 0, where the 2 3P0 decay is unquenched, the E1M1 corrections are even more important reaching 60% for Z=94. Therefore, to aid in the interpretation …
