Accurate results for nonrelativistic energy, relativistic, QED, and finite nuclear mass corrections are obtained for $2^1S_{1/2}$, $3^1S_{1/2}$ and $2^1P_{1/2}$ states of the Li atom and Be$^+$ ion. Our computational approach uses the Hylleraas basis set with the analytic integration and recursion relations. From comparison of experimental results for the isotope shifts to theoretical predictions including nuclear polarizabilities, we obtain nuclear charge radii for Li and Be isotopes.
The quantum electrodynamic theory of the nuclear recoil effect in atoms to all orders in αZ is formulated. The nuclear recoil corrections for atoms with one and two electrons over closed shells are considered in detail. The problem of the composite nuclear structure in the theory of the nuclear recoil effect is discussed.
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.
Fully relativistic approach is applied to evaluation of the nuclear recoil effect on the bound-electron $g$ factor in hydrogenlike ions to first order in the electron-to-nucleus mass ratio $m/M$ and to all orders in $αZ$. The calculations are performed in the range $1 \leqslant Z \leqslant 20$ for the $g$ factors of $1s$, $2s$, $2p_{1/2}$, and $2p_{3/2}$ states. The $αZ$-dependence of the nontrivial QED recoil contribution as a function of $Z$ is studied.
The quantum electrodynamic theory of the nuclear recoil effect on the atomic g factor to all orders in αZ and to first order in m/M is formulated. The complete αZ-dependence formula for the recoil correction to the bound-electron g factor in a hydrogenlike atom is derived. This formula is used to calculate the recoil correction to the bound-electron g factor in the order (αZ)^2 m/M for an arbitrary state of a hydrogenlike atom.
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 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 …
Modern spectroscopic experiments in few-electron atoms reached the level of precision at which an accurate description of quantum electrodynamics (QED) effects is mandatory. In many cases, theoretical treatment of QED effects has to be performed without any expansion in the nuclear binding strength parameter $Zα$ (where $Z$ is the nuclear charge number and $α$ is the fine-structure constant). Such calculations involve multiple summations over the whole spectrum of the Dirac equation in the presence of the binding nuclear field, which can be evaluated in terms of the Dirac Green function. In th…
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 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.
Comparison of high accuracy calculations with precision measurement of the 413 nm tune-out wavelength of the He($2\,^3S_1$) state provides a unique test of quantum electro-dynamic (QED). We perform large-scale relativistic-configuration-interaction (RCI) calculations of the tune-out wavelength, that include the mass-shift operator, and fully account for leading relativistic nuclear recoil terms in the Dirac-Coulomb-Breit (DCB) Hamiltonian. We obtain the QED correction to the tune-out wavelength using perturbation theory, and the effect of finite nuclear size is also evaluated. The resulting tu…
The nuclear transition between the ground and the low-energy isomeric state in the ^{229}Th nucleus is of interest due to its high sensitivity to a hypothetical temporal variation of the fundamental constants and a possibility to build a very precise nuclear clock, but precise knowledge of the nuclear clock transition frequency is required. In this work we estimate the probability of an electronic bridge process in ^{229}Th^35+, allowing to determine the nuclear transition frequency and reduce its uncertainty. Using configuration interaction methods we calculated energies of the low-lying stat…
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 …
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…
The derivation of leading quantum electrodynamic corrections to the nuclear magnetic shielding in light hydrogen- and helium-like atomic systems is described in detail. The presented theoretical approach applies to any light atomic and molecular systems, enabling the determination of the magnetic moment of light nuclei with much higher precision than known presently.
The magnetic shielding $σ$ of $^3$He is studied. The complete relativistic corrections of order $O(α^2)$, leading QED corrections of order $O(α^3 \lnα)$, and finite nuclear mass effects of order $O(m/m_{\rm N})$ are calculated with high numerical precision. The resulting theoretical predictions for $σ= 59.967~43(10)\cdot 10^{-6}$ are the most accurate to date among all elements and support the use of $^3$He as a NMR standard.
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…
Two-loop QED corrections with closed fermion loops are calculated for the 1s bound-electron g factor. Calculations are performed to all orders in the nuclear binding strength parameter Zα(where Z is the nuclear charge and αis the fine structure constant) except for the closed fermion loop, which is treated within the free-loop (Uehling) approximation in some cases. Comparison with previous Zα-expansion calculations is made and the higher-order remainder of order α^2(Zα)^5 and higher is separated out from the numerical results.
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.
Relativistic calculations of the energies of the low-lying $1sns$, $1snp$, $1snd$ states and the probabilities of the one-photon $1snl\to 1sn'l'$ transitions in heliumlike uranium
本文在 Breit 近似下利用 Dirac-Fock-Sturm 基组和组态相互作用方法，结合模型 QED 算符及核反冲、核极化等修正，计算了类氦铀低激发态能级和若干单光子跃迁概率。
Absolute transition frequencies of the $2s\,^2{\rm{S}}_{1/2}$ $\rightarrow$ $2p\,^2{\rm{P}}_{1/2,3/2}$ transitions in Be$^+$ were measured with a frequency comb in stable and short-lived isotopes at ISOLDE (CERN) using collinear laser spectroscopy. Quasi-simultaneous measurements in copropagating and counterpropagating geometry were performed to become independent from acceleration voltage determinations for Doppler-shift corrections of the fast ion beam. Isotope shifts and fine structure splittings were obtained from the absolute transition frequencies with accuracies better than 1\,MHz and l…
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.
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.
A method for calculating the electronic levels in the compact superheavy nuclear quasi-molecules, based on solving the two-center Dirac equation using the multipole expansion of two-center potential, is developed. For the internuclear distances up to $d\sim100$~fm such technique reveals a quite fast convergence and allows for computing the electronic levels in such systems with accuracy $\sim 10^{-6} $. The critical distances $R_{cr}$ between the nuclei for $1σ_g$ and $1σ_u$ electronic levels in the region $Z\simeq 87-100$ are calculated. By means of the same technique the shifts of electronic…
Accurate QED evaluations of the one- and two-photon interelectron interaction for low lying two- and three-electron configurations for ions with nuclear charge numbers $60\le Z \le 93$ are performed. The three-photon interaction is also partly taken into account. The Coulomb gauge is employed. The results are compared with available experimental data and with different calculations. A detailed investigation of the behaviour of the energy levels of the configurations $1s_{1/2}2s_{1/2} {}^1 S_0$, $1s_{1/2}2p_{1/2} {}^3 P_0$ near the crossing points Z=64 and Z=92 is carried out. The crossing poin…
The model-QED-operator approach [Phys. Rev. A 88, 012513 (2013)] to calculations of the radiative corrections to binding and transition energies in atomic systems is extended to the range of nuclear charges $110 \leqslant Z \leqslant 170$. The self-energy part of the model operator is represented by a nonlocal potential based on diagonal and off-diagonal matrix elements of the ab initio self-energy operator with the Dirac-Coulomb wave functions. The vacuum-polarization part consists of the Uehling contribution which is readily computed for an arbitrary nuclear-charge distribution and the Wichm…
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 strong mixing of close levels with two valence electrons in Be-like xenon greatly complicates ab initio QED calculations beyond the first-order approximation. Due to a strong interplay between the electron-electron correlation and QED effects, the standard single-level perturbative QED approach may fail, even if it takes into account the second-order screened QED diagrams. In the present Letter, the corresponding obstacles are overcome by working out the QED perturbation theory for quasidegenerate states. The contributions of all the Feynman diagrams up to the second order are taken into a…
The leading quantum electrodynamic corrections to the nuclear magnetic shielding in one- and two-electron atomic systems are obtained in a complete form, and the shielding constants of $^1$H, $^3$He$^+$, and $^3$He are calculated to be $17.735\,436(3) \cdot 10^{-6}$, $35.507\,434(9)\cdot 10^{-6}$, and $59.967\,029(23)\cdot 10^{-6}$, respectively. These results are orders of magnitude more accurate than previous ones, and, with the ongoing measurement of the nuclear magnetic moment of $^3$He$^+$ and planned $^3$He$^{2+}$, they open the window for high-precision absolute magnetometry using $^3$H…
The quantum electrodynamics formalism to treat the interelectronic-interaction correction of first order in $1/Z$ to the two-electron part of the nuclear recoil effect on binding energies in atoms and ions is developed. The nonperturbative in $αZ$ calculations of the corresponding contribution to the energies of the $1s^2$ state in He-like and the $1s^2 2s$ and $1s^2 2p_{1/2}$ states in Li-like ions are performed in the range $Z=5-100$. The behavior of the two-electron part of the nuclear recoil effect beyond the lowest-order relativistic approximation as $Z$ grows is studied.
The screened QED corrections to the g factor of Li-like ions are evaluated utilizing an effective potential approach. The evaluation is performed within the range of nuclear charge numbers Z=32-92. The results obtained serve for improving the theoretical predictions for the g factor of heavy Li-like ions.
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…
In this review we study the level of accuracy of the electronic wave functions which is necessary to describe properly the atomic effects during nuclear beta-decay. In the case of the beta- decay in the Li atom into Be+ ion we compare the numerical values of the transition probabilities from the S-, P-, D-low-lying states of the initial atom and final ion calculated using both Hylleraas-Configuration Interaction (Hy-CI) and Configuration Interaction (CI) with Slater orbitals wave functions. In addition using the CI method the transition probabilities from F, G, H and I low-lying states have be…
We perform relativistic configuration-interaction calculations of the energy levels of the low-lying and core-excited states of beryllium-like iron, Fe$^{22+}$. The results include the QED contributions calculated by two different methods, the model QED operator approach and the screening-potential approach. The uncertainties of theoretical energies are estimated systematically. The predicted wavelengths of the Kαtransitions in beryllium-like iron improve previous theoretical results and compare favorably with the experimental data.
The electron-electron interaction correction of first order in $1/Z$ to the one-electron part of the nuclear recoil effect on binding energies in atoms and ions is considered within the framework of the rigorous QED approach. The calculations to all orders in $αZ$ are performed for the $1s^2$ state in heliumlike ions and the $1s^2 2s$ and $1s^2 2p_{1/2}$ states in lithiumlike ions in the range $Z=5$--$100$. The results obtained are compared with the Breit-approximation values. The performed calculations complete a systematic treatment of the QED nuclear recoil effect up to the first order in $…
Ab initio method based on a complex-scaling approach and aimed at a rigorous QED description of autoionizing states is worked out. The autoionizing-state binding energies are treated nonperturbatively in $αZ$ and include all the many-electron QED contributions up to the second order. The higher-order electron correlation, nuclear recoil, and nuclear polarization effects are taken into account as well. The developed formalism is demonstrated on the $LL$ resonances in heliumlike argon and uranium. The most accurate theoretical predictions for the binding energies are obtained.
Relativistic configuration-interaction calculations have been performed for the energy levels of the low-lying and core-excited states of beryllium-like argon, Ar$^{14+}$. These calculations include the one-loop QED effects as obtained by two different methods, the screening-potential approach as well as the model QED operator approach. The calculations are supplemented by a systematic estimation of uncertainties of theoretical predictions.
The both mass-dependent and field shift components of the isotopic shifts and the lowest order QED corrections for the ground (singlet) $1^1S(L = 0)-$states of the ${}^{3}$He and ${}^{4}$He atoms are determined to high accuracy. For the same states we also evaluated the lowest-order QED corrections and the corresponding recoil (or finite mass) corrections. In our calculations we have used the new (corrected) formula for the recoil correction to the lowest-order QED correction which can be applied to atoms/ions with arbitrary nuclear charge $Q \ge 1$.
Accurate calculations of the binding energies, the hyperfine splitting, the bound-electron g-factor, and the parity nonconservation effects in heavy few-electron ions are considered. The calculations include the relativistic, quantum electrodynamic (QED), electron-correlation, and nuclear effects. The theoretical results are compared with available experimental data. A special attention is focused on tests of QED in a strong Coulomb field.
The relativistic nuclear recoil, higher-order interelectronic-interaction, and screened QED corrections to the transition energies in Li-like ions are evaluated. The calculation of the relativistic recoil effect is performed to all orders in 1/Z. The interelectronic-interaction correction to the transition energies beyond the two-photon exchange level is evaluated to all orders in 1/Z within the Breit approximation. The evaluation is carried out employing the large-scale configuration-interaction Dirac-Fock-Sturm method. The rigorous calculation of the complete gauge invariant sets of the scre…
We calculated spectra of the first six members of the Mg-like isoelectronic sequence using different approximations. The most accurate results were obtained with the configuration interaction + all order method (CI+AO), which provided relative accuracy for transition energies on the level of 0.1\%, or better. On this level of accuracy the Breit and QED corrections become important for the systems with nuclear charge $Z\gtrsim 20$. The retardation part of the Breit interaction and QED corrections for the partial waves with $l\ne 0$ are still too small to be important.
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 first fully relativistic, rigorous QED calculations of the self-energy correction to the fine-structure levels of heavy muonic atoms are reported. We discuss nuclear model and parameter dependence for this contribution as well as numerical convergence issues. The presented results show sizable disagreement with previously reported estimations, including ones used for the determination of the nuclear root-mean-square radii, and underline the importance of rigorous QED calculations for the theoretical prediction of the spectra of muonic atoms.
Recent progress in laser and x-ray spectroscopy of muonic atoms offers promising long-term possibilities at the intersection of atomic, nuclear and particle physics. In muonic hydrogen, laser spectroscopy measurements will determine the ground-state hyperfine splitting (HFS) and additionally improve the Lamb shift by a factor of 5. Precision spectroscopy with cryogenic microcalorimeters has the potential to significantly improve the charge radii of the light nuclei in the $Z=3-8$ range. Complementary progress in precision should be achieved on the theory of nucleon- and nuclear-structure effec…
We present tabulated data for the nuclear magnetic shielding constants ($σ$) of the Dirac one-electron atoms with a pointlike, motionless and spinless nucleus of charge $Ze$. Utilizing the exact general analytical formula for $σ$ derived by us \mbox{[P. Stefa{ń}ska, Phys. Rev. A. 94 (2016) 012508/1-15],} valid for an arbitrary discrete energy eigenstate, we have computed the numerical values of the magnetic shielding factors for the ground state and for the first and the second set of excited states, i.e.: 2s$_{1/2}$, 2p$_{1/2}$, 2p$_{3/2}$, 3s$_{1/2}$, 3p$_{1/2}$, 3p$_{3/2}$, 3d$_{3/2}$, and …
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.
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.
We perform ab initio QED calculations of energy levels for the $n=1$ and $n=2$ states of He-like ions with the nuclear charge in the range $Z = 12$-100. The complete set of two-electron QED corrections is evaluated to all orders in the parameter $\aZ$. Uncalculated contributions to energy levels come through orders $α^3 (\aZ)^2$, $α^2 (\aZ)^7$, and higher. The calculation presented is the first treatment for excited states of He-like ions complete through order $α^2 (\aZ)^4$. A significant improvement in accuracy of theoretical predictions is achieved, especially in the high-$Z$ region.
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…
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…
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…
