A part of the two-loop self-energy correction, the so-called P term, is evaluated numerically for the 1s state to all orders in Zα. Our calculation, combined with the previous investigation [S. Mallampalli and J. Sapirstein, Phys. Rev. A 57, 1548 (1998)], yields the total answer for the two-loop self-energy correction in H-like uranium and bismuth. As a result, the major uncertainty is eliminated from the theoretical prediction for the Lamb shift in these systems. The total value of the ground-state Lamb shift in H-like uranium is found to be 463.93(50) eV.
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.
A calculation valid to all orders in the nuclear-strength parameter is presented for the two-loop Lamb shift, notably for the two-loop self-energy correction, to the 2p-2s transition energies in heavy Li-like ions. The calculation removes the largest theoretical uncertainty for these transitions and yields the first experimental identification of two-loop QED effects in the region of the strong binding field.
A detailed description of the numerical procedure is presented for the evaluation of the one-loop self-energy correction to the $g$-factor of an electron in the $1s$ and $2s$ states in H-like ions to all orders in $Zα$.
The one-loop self-energy correction to the hyperfine structure splitting of the 1s and 2s states of hydrogenlike ions is calculated both for the point and finite nucleus. The results of the calculation are combined with other corrections to find the ground state hyperfine splitting in lithiumlike ^{209}Bi^{80+} and ^{165}Ho^{64+}.
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 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.
The influence of hypothetical new interactions beyond the Standard Model on atomic spectra has attracted recent interest. In the present work, interelectronic photon-exchange corrections and radiative quantum electrodynamic corrections to the hypothetical contribution to the energy levels of few-electron ions from a new interaction are calculated. The $1s$, $2s$ and $2p_{1/2}$ ground states of H-like, Li-like and B-like ions are considered, as motivated by proposals to use isotope shift spectroscopy of few-electron ions in order to set stringent constraints on hypothetical new interactions. It…
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 static dipole polarizability for the hydrogen molecular ions H$_2^+$, HD$^+$, and D$_2^+$ are calculated. These new data for polarizability takes into account the leading order relativistic corrections to the wave function of the three-body system resulted from the Breit-Pauli Hamiltonian of $mα^4$ order. Our study covers a wide range of rotational ($L=0-5$) and vibrational ($v=0-10$) states, which are of practical interest for precision spectroscopy of the hydrogen molecular ions.
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.
Mass-dependent and field shift components of the isotopic shift are determined to high accuracy for the ground $1^1S-$states of some light two-electron Li$^{+}$, Be$^{2+}$, B$^{3+}$ and C$^{4+}$ ions. To determine the field components of these isotopic shifts we apply the Racah-Rosental-Breit formula. We also determine the lowest order QED corrections to the isotopic shifts for each of these two-electron ions.
The one-electron quantum-electrodynamic corrections to the magnetic-dipole transition amplitude between the fine-structure levels (1s^2 2s^2 2p) ^2P_3/2 - ^2P_1/2 in boronlike ions are calculated to all orders in (αZ). The results obtained serve for improving the theoretical accuracy of the lifetime of the (1s^2 2s^2 2p) ^2P_3/2 level in boronlike argon.
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.
Calculations of various corrections to the g factor of Li-like ions are presented, which result in a significant improvement of the theoretical accuracy in the region Z = 6-92. The configuration-interaction Dirac-Fock method is employed for the evaluation of the interelectronic-interaction correction of order 1/Z^2 and higher. This correction is combined with the 1/Z interelectronic-interaction term derived within a rigorous QED approach. The one-electron QED corrections of first in αare calculated to all orders in the parameter αZ. The screening of QED corrections is taken into account to the…
A rigorous evaluation of the complete gauge-invariant set of the screened one-loop QED corrections to the hyperfine structure and g factor in lithiumlike heavy ions is presented. The calculations are performed in both Feynman and Coulomb gauges for the virtual photon mediating the interelectronic interaction. As a result, the most accurate theoretical predictions for the specific difference between the hyperfine splitting values of H- and Li-like Bi ions as well as for the g factor of Li-like Pb ion are obtained.
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 major goal of the high-precision studies of ro-vibrational states in the hydrogen molecular ions is to provide an alternative way for improving the electron-to-proton mass ratio, or the atomic mass of electron. By now the complete set of relativistic and radiative corrections have been obtained for a wide range of ro-vibrational states of H_2^+ and HD^+ up to order R_\inftyα^4. In this work we complete calculations of various contributions to the R_\inftyα^4 order by computing the relativistic corrections to the binding energy of electron.
A rigorous QED evaluation of the two-photon exchange corrections to the g factor of lithiumlike ions is presented. The screened self-energy corrections are calculated for the intermediate-$Z$ region and its accuracy for the high-$Z$ region is essentially improved in comparison with that of previous calculations. As a result, the theoretical accuracy of the g factor of lithiumlike ions is significantly increased. The theoretical prediction obtained for the g factor of $^{28}$Si$^{11+}$ ${\rm g}_{\rm th} = 2.000\,889\,892(8)$ is in an excellent agreement with the corresponding experimental value…
A rigorous QED theory of the spectral line profiles is applied to transition probabilities in few-electron highly charged ions. Interelectron interaction corrections are included as well as radiative corrections. Parity nonconserving (PNC) amplitudes with effective weak interactions between the electrons and nucleus are also considered. QED and interelectron interaction corrections to the PNC amplitudes are derived.
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 variational calculations of the operators for the relativistic corrections in the leading $mα^4$ order are presented. The ro-vibrational states in the range of the total orbital angular momentum $L\!=\!0\!-\!4$ and vibrational quantum number $v\!=\!0\!-\!10$ for the $\mbox{H}_2^+$ and $\mbox{HD}^+$ molecular ions are considered. We estimate that about ten significant digits are obtained. This high precision is required for making theoretical predictions for transition frequencies at the level of $10^{-12}$ relative uncertainty.
Total electronic correlation correction to the binding energies of the isoelectronic series of Beryllium, Neon, Magnesium and Argon, are calculated in the framework of relativistic multiconfiguration Dirac-Fock method. Convergence of the correlation energies is studied as the active set of orbitals is increased. The Breit interaction is treated fully self-consistently. The final results can be used in the accurately determination of atomic masses from highly charged ions data obtained in Penning-trap experiments.
Ab initio calculations of QED radiative corrections to the $^2P_{1/2}$ - $^2P_{3/2}$ fine-structure transition energy are performed for selected F-like ions. These calculations are nonperturbative in $αZ$ and include all first-order and many-electron second-order effects in $α$. When compared to approximate QED computations, a notable discrepancy is found especially for F-like uranium for which the predicted self-energy contributions even differ in sign. Moreover, all deviations between theory and experiment for the $^2P_{1/2}$ - $^2P_{3/2}$ fine-structure energies of F-like ions, reported rec…
The ground-state hyperfine splitting values of high-Z boronlike ions are calculated. Calculation of the interelectronic-interaction contribution is based on a combination of the 1/Z perturbation theory and the large-scale configuration-interaction Dirac-Fock-Sturm method. The screened QED corrections are evaluated utilizing an effective screening potential approach. Total hyperfine splitting energies are presented for several B-like ions of particular interest: {}^{45}Sc{}^{16+}, {}^{57}Fe{}^{21+}, {}^{207}Pb{}^{77+}, and {}^{209}Bi{}^{78+}. For lead and bismuth the experimental values of the …
The two-loop self-energy correction to the ground state Lamb shift is calculated for hydrogen-like ions with the nuclear charge Z=10-30 without any expansion in the binding field of the nucleus. A calculational technique is reported for treatment of Feynman diagrams in the mixed coordinate-momentum representation, which yields significant improvement in numerical accuracy as compared to previous results. An extrapolation of the all-order numerical data towards Z=1 yields a result for the higher-order remainder function for hydrogen. The previously reported disagreement between the all-order an…
We compute the ground-state electric dipole polarizability of group-IIIA ions using the perturbed relativistic coupled-cluster (PRCC) theory. To account for the relativistic effects and QED corrections, we use the Dirac-Coulomb-Breit Hamiltonian with the corrections from the Uehling potential and the self-energy. The effects of triple excitations are considered perturbatively in the PRCC. Our PRCC results for $α$ are good in agreement with the previous theoretical results for all the ions. From our computations we find that the nonlinear terms in PRCC have significant contributions and must be…
The screened QED corrections of the first orders in αand 1/Z to the g factor and the hyperfine splitting of lithiumlike ions are evaluated within ab initio quantum electrodynamical approach. The complete gauge-invariant set of the two-electron self-energy diagrams in the presence of the magnetic field and a dominant part of the two-electron vacuum-polarization diagrams are calculated. The most accurate values of the g factor of Li-like lead and uranium are presented. The theoretical prediction for the specific difference of the hyperfine splittings of H- and Li-like bismuth is improved.
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 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 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…
A complete effective Hamiltonian for relativistic corrections at orders $mα^6$ and $mα^6(m/M)$ in a one-electron molecular system is derived from the NRQED Lagrangian. It includes spin-independent corrections to the energy levels and spin-spin scalar interactions contributing to the hyperfine splitting, both of which had been studied previously. In addition, corrections to electron spin-orbit and spin-spin tensor interactions are newly obtained. This allows improving the hyperfine structure theory in the hydrogen molecular ions. Improved values of the spin-orbit hyperfine coefficient are calcu…
Formulas and expectation values which are need to determine the lowest-order QED corrections ($\sim α^3$) and corresponding recoil (or finite mass) corrections in the two-electron helium-like ions are presented. Other important properties of the two-electron ions are also determined to high accuracy, including the expectation values of the qausi-singular Vinti operator and $\langle r^{-2}_{eN} \rangle$ and $\langle r^{-2}_{ee} \rangle$ expectation values. Elastic scattering of fast electrons by the two-electron ions in the Born approximation is considered. Interpolation formulas are derived fo…
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…
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…
The mass corrections to the bound state energies of the three-body muonic molecular ions $ppμ, pdμ, ptμ, ddμ, dtμ$ and $ttμ$ are determined numerically from the results of highly accurate computations. The total energies and some other bound state properties of these ions are evaluated to very high accuracy for the bound $S(L = 0)-, P(L = 1)-$ and $D(L = 2)-$states. In these highly accurate calculations we used the most recent and accurate masses of particles $m_p, m_d, m_t$ and $m_μ$ known from high energy experiments.
The quantum electrodynamics (QED) corrections are directly incorporated into the most accurate treatment of the correlation corrections for ions with complex electronic structure of interest to metrology and tests of fundamental physics. We compared the performance of four different QED potentials for various systems to access the accuracy of QED calculations and to make prediction of highly charged ion properties urgently needed for planning future experiments. We find that all four potentials give consistent and reliable results for ions of interest. For the strongly bound electrons the nonl…
Theoretical calculations of the interelectronic-interaction and QED corrections to the $g$ factor of the ground state of boronlike ions are presented. The first-order interelectronic-interaction and the self-energy corrections are evaluated within the rigorous QED approach in the effective screening potential. The second-order interelectronic interaction is considered within the Breit approximation. The nuclear recoil effect is also taken into account. The results for the ground-state $g$ factor of boronlike ions in the range $Z$=10--20 are presented and compared to the previous calculations.
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 multiconfiguration Dirac-Hartree-Fock theory is used to calculate the 3d9 2D3/2 - 2D5/2 transition energy for Co-like ions with Z = 28-100. We investigate how electron correlation, frequency-independent and -dependent Breit interactions, as well as QED corrections, vary along the sequence. The well-understood frequency-independent Breit contribution has the largest contribution for all ions. Among the corrections to this, correlation decreases rapidly with Z, the frequency-dependent Breit contribution is important especially for high-Z ions, and the self-energy contribution to the QED beco…
The reduced-mass dependence of relativistic and radiative effects in simple muonic bound systems is investigated. The spin-dependent nuclear recoil correction of order (Zalpha)^4 mu^3/m_N^2 is evaluated for muonic hydrogen and deuterium, and muonic helium ions (mu is the reduced mass and m_N is the nuclear mass). Relativistic corrections to vacuum polarization of order alpha (Zalpha)^4 mu are calculated, with a full account of the reduced-mass dependence. The results shift theoretical predictions. The radiative-recoil correction to vacuum polarization of order alpha (Zα)^5 ln^2(Zalpha) mu^2/m_…
Expectation values of the Breit operators and the $Q$ terms are calculated for HD$^+$ with the vibrational number $v=0-4$ and the total angular momentum $L=0-4$. Relativistic and radiative corrections to some ro-vibrational transition frequencies are determined. Numerical uncertainty in $R_{\infty}α^2$ order correction is reduced to sub kHz or smaller. Our work provides an independent verification of Korobov's calculations [Phys. Rev. A {\bf74}, 052506 (2006); {\bf77}, 022509 (2008)].
Using perturbed relativistic coupled-cluster (PRCC) theory we compute the ground state electric dipole polarizability, $α$, of doubly ionized alkaline earth metal ions $\rm{Mg}^{2+}$, $\rm{Ca}^{2+}$, $\rm{Sr}^{2+}$, $\rm{Ba}^{2+}$ and $\rm{Ra}^{2+}$. In the present work we use the Dirac-Coulomb-Breit atomic Hamiltonian and we also include the Uehling potential, which is the leading order term in the vacuum polarization corrections. We examine the correction to the orbital energies arising from the Uehling potential in the self-consistent field calculations as well as perturbatively. Our result…
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）
We calculate isotope mass shift for several light ions using Dirac wave functions and mass shift operator with relativistic corrections of the order of $(αZ)^2$. Calculated relativistic corrections to the specific mass shift vary from a fraction of a percent for Carbon, to 2% for Magnesium. Relativistic corrections to the normal mass shift are typically smaller. Interestingly, the final relativistic mass shifts for the levels of one multiplet appear to be even closer than for non-relativistic operator. That can be important for the astrophysical search for possible $α$-variation, where isotope…
Relativistic calculations of the second- and third-order contributions in magnetic field to the Zeeman splitting in boronlike ions are presented for the wide range of nuclear charge numbers $Z=6$--$92$. The interelectronic-interaction correction of the first order in $1/Z$ is evaluated to all orders in $αZ$. The higher-order corrections in $1/Z$ are taken into account approximately by means of effective screening potentials. The obtained results are important for interpretation of experimental data on the Zeeman splitting in boronlike ions, in particular, for the ARTEMIS experiment presently i…
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 …
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 …
Self-energy corrections to the ionization energies in sodium-like ions: comparison of the \textit{ab initio} QED and model-QED-operator approaches
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学院）；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）；Petersburg Nuclear Physics Institute named by B.P. Konstantinov of National Research Center “Kurchatov Institute”（库尔恰托夫国家研究中心B.P.康斯坦丁诺夫彼得堡核物理研究所）；School of Physics and Engineering, ITMO University（ITMO大学物理与工程学院）
We reconsider the calculation of rovibrational transition frequencies in hydrogen molecular ions. Some previously neglected contributions, such as the deuteron polarizability, are included into consideration in comparison with our previous work. In particular, one-loop and two-loop QED corrections at $mα^7$ and $mα^8$ orders are recalculated in the framework of the adiabatic approximation, with systematic inclusion of corrections associated with vibrational motion. Improved theoretical transitions frequencies are obtained and found to be in very good agreement with recent high-precision spectr…
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 …
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 …
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.
