Energy levels of germanium, tin and lead together with their single, double and triple ionized positive ions have been calculated using the $V^{N-M}$ approximation suggested in the previous work (Dzuba, physics/0501032) (M=4 - number of valence electrons). Initial Hartree-Fock calculations are done for the quadruply ionized ions with all valence electrons removed. The core-valence correlations are included beyond the second-order of the many-body perturbation theory. Interaction between valence electrons is treated by means of the configuration interaction technique. It is demonstrated that accurate treatment of the core-valence correlations lead to systematic improvement of the accuracy of calculations for all ions and neutral atoms.
Complete vacuum polarization calculations incorporating finite nuclear size are presented for hydrogenic ions with principal quantum numbers n=1-5. Lithiumlike, sodiumlike, and copperlike ions are also treated starting with Kohn-Sham potentials, and including first-order screening corrections. In both cases dominant Uehling terms are calculated with high accuracy, and smaller Wichmann- Kroll terms are obtained using numerical electron Green's functions.
Accurate QED calculation of transition probabilities for the low-lying two-electron configurations of multicharged ions is presented. The calculation is performed for the nondegenerate states $(1s2s) 3S1$, $(1s2p_{3/2}) 3P2$ ($M 1$ and $M 2$ transitions, respectively) and for the quasidegenerate states $(1s2p) 1P1$, $(1s2p) 3P1$ ($E 1$ transitions) decaying to the ground state $(1s1s) 1S0$. Two-electron ions with nuclear charge numbers $Z=10-92$ are considered. The line profile approach is employed for the description of the process in multicharged ions within the framework of QED.
Large-scale relativistic configuration-interaction calculation of energy levels of core-excited states of lithium-like ions is presented. Quantum electrodynamic, nuclear recoil, and frequency-dependent Breit corrections are included in the calculation. The approach is consistently applied for calculating all $n=2$ core-excited states for all lithium-like ions starting from argon ($Z = 18$) and ending with krypton ($Z = 36$). The results obtained are supplemented with systematical estimations of calculation errors and omitted effects.
Relativistic self-consistent-field calculations of the radial hyperfine integrals have been performed in the 4d-shell element ions. The comparison with available experimental results gives an estimate of configuration interaction effects in the hyperfine interaction in these ions. The results can also be used to derive nuclear moments from laserspectroscopic measurements of radioactive isotopes. PACS Numbers: 31.15.Ne, 31.30.Gs, 32.10.Fn
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.
The isotope shifts of forbidden transitions in Be- and B-like argon ions are calculated. It is shown that only using the relativistic recoil operator can provide a proper evaluation of the mass isotope shift, which strongly dominates over the field isotope shift for the ions under consideration. Comparing the isotope shifts calculated with the current experimental uncertainties indicates very good perspectives for a first test of the relativistic theory of the recoil effect in middle-Z ions.
We calculate the spectra, electric dipole transition rates and isotope shifts of the super heavy elements Ds (Z=110), Rg (Z=111) and Cn (Z=112) and their ions. These calculations were performed using a recently developed, efficient version of the ab initio configuration interaction combined with perturbation theory to treat distant effects. The successive ionization potentials of the three elements are also calculated and compared to lighter elements.
Accurate QED calculations of the interelectron interaction corrections for the $(1s2p)2 {}^1 P_1$, $(1s2p)2 {}^3 P_1$ two-electron configurations for ions with nuclear charge numbers $10\le Z \le 92$ are performed within the line profile approach. Total energies of these configurations are evaluated. Employing the fully relativistic treatment based on the {$j$--$j$} coupling scheme these energy levels become quasi-degenerate in the region $Z\le 40$. To treat such states within the framework of QED we utilize the line profile approach. The calculations are performed within the Coulomb gauge.
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.
Fully relativistic approach to evaluate the correlation effects in highly charged ions is presented. The interelectronic-interaction contributions of first and second orders in $1/Z$ are treated rigorously within the framework of bound-state quantum electrodynamics, whereas the calculations of the third- and higher-order contributions are based on the Dirac-Coulomb-Breit Hamiltonian. The developed approach allows one to deal with single as well as degenerate or quasi-degenerate states. We apply this approach to the calculations of the correlation contributions to the $n=1$ and $n=2$ energy lev…
Large-scale relativistic configuration-interaction method combined with many-body perturbation theory is consistently applied to calculations of the energy levels of the ground and inner-L-shell excited states of berylliumlike ions in the range $10 \leq Z \leq 92$. The quantum electrodynamics, nuclear recoil, and frequency-dependent Breit corrections are taken into account. The obtained results are supplemented with the systematical estimation of the uncertainties.
The FAC, GRASP2K, and MCDFGME codes are compared in three case study of radiative transitions occurring in tungsten ions: (i) Ni1 and Ni2 lines in Ni-like tungsten, (ii) $3p_{3/2}{-}3p_{1/2}$ fine splitting in Cl-like tungsten, and (iii) $Kα_{1}$ and $Kα_{2}$ lines in W VIII. Various approaches to including the Breit interaction term and QED corrections in atomic calculations are examined. Electron correlation effects are also investigated and compared to the Breit and QED contributions. The data presented here may be used to estimate theoretical uncertainties relevant to interpretation of hig…
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…
Large-scale calculations of atomic structures and radiative properties have been carried out for singly, doubly- and trebly ionized cerium. For this purpose, the purely relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) method was used, taking into account the effects of valence-valence and core-valence electronic correlations in detail. The results obtained were then used to calculate the expansion opacities characterizing the kilonovae observed as a result of neutron star mergers. Comparisons with previously published experimental and theoretical studies have shown that the results p…
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 interelectronic-interaction effect on the transition probabilities in high-Z He-like ions is investigated within a systematic quantum electrodynamic approach. The calculation formulas for the interelectronic-interaction corrections of first order in 1/Z are derived using the two-time Green function method. These formulas are employed for numerical evaluations of the magnetic transition probabilities in heliumlike ions. The results of the calculations are compared with experimental values and previous calculations.
Energy levels, hyperfine interaction constants, and Landé $g_J$-factors are reported for n=2 states in beryllium-, boron-, carbon-, and nitrogen-like ions from relativistic configuration interaction calculations. Valence, core-valence, and core-core correlation effects are taken into account through single and double-excitations from multireference expansions to increasing sets of active orbitals. A systematic comparison of the calculated hyperfine interaction constants is made with values from the available literature.
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 …
A calculation of two-electron QED effects to all orders in the nuclear binding strength parameter $Zα$ is presented for the ground and $n = 2$ excited states of helium-like ions. After subtracting the first terms of the $Zα$ expansion from the all-order results, we identify the higher-order QED effects of order $mα^7$ and higher. Combining the higher-order remainder with the results complete through order $mα^6$ from [V. A. Yerokhin and K. Pachucki, Phys. Rev. A 81, 022507 (2010)], we obtain the most accurate theoretical predictions for the ground and non-mixing $n=2$ states of helium-like ion…
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 …
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.
Extensive self-consistent multi-configuration Dirac-Hartree-Fock (MCDHF) calculations are performed for the $3s^2 3p^6 3d^k$ ($k=1-9$) ground configurations of highly charged ions ($Z=72-83$). Complete and consistent data sets of \textbf{excitation energies}, wavelengths, line strengths, oscillator strengths, and magnetic dipole (M1) and electric quadrupole (E2) transition rates among all these levels are given. We have compared our results with the results available in the literature and the accuracy of the data is assessed. We predict new energy levels and transition probabilities where no o…
In this work, the controversy between the interpretations of recent measurements on dense aluminum plasma created with Linac coherent light sources (LCLS) X-ray free electron laser (FEL) and Orion laser has been addressed. In both kind of experiments, helium-like and hydrogen-like spectral lines are used for plasma diagnostics . However, there exist no precise theoretical calculations for He-like ions within dense plasma environment. The strong need for an accurate theoretical estimates for spectral properties of He-like ions in strongly coupled plasma environment leads us to perform ab initio…
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 …
Rates and line strengths are calculated for the 2s22p53l3l' - 2s22p63l'' and 2s2p63l3l' - 2s22p63l'' electric-dipole (E1) transitions in Na-like ions with nuclear charges ranging from Z = 14 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s22s22p6 Dirac-Fock potential. First-order RMBPT is used to obtain intermediate coupling coefficients and second-order RMBPT is used to calculate transition matrix elements. A detailed discussion of the vari…
Ab initio QED calculations of the four x-ray transitions from the $L$ to $K$ shell in heliumlike argon, titanium, iron, copper, and krypton are performed. The binding energies for all the $n=1$ and $n=2$ states are evaluated as well. The calculation approach combines the rigorous QED treatment in the first two orders of the perturbation theory constructed within the extended Furry picture with the third- and higher-order correlation effects evaluated in the Breit approximation. The obtained results are compared with the previous evaluations and available experimental data.
Atomic properties of $n=3$ states of the W$^{56+}$ $-$ W$^{61+}$ ions are systematically investigated through two state-of-the-art methods, namely, the second-order many-body perturbation theory, and the multi-configuration Dirac-Hartree-Fock method combined with the relativistic configuration interaction approach. The contributions of valence-valence and core-valence electron correlations, the Breit interaction, the higher-order retardation correction beyond the Breit interaction through the transverse photon interaction, and the quantum electrodynamical corrections to the excitation energies…
We present systematic calculations of energy levels of the $1s^22l$ and $1s2l2l'$ states of ions along the lithium isoelectronic sequence from carbon till chlorine. The calculations are performed by using the relativistic-configuration-interaction method adapted to the treatment of autoionizing core-excited states. The relativistic energies are supplemented with the QED energy shifts calculated within the model QED operator approach. A systematic estimation of the theoretical uncertainties is performed for every electronic state and every nuclear charge. The results are in agreement with exist…
Using the multiconfiguration Dirac-Hartree-Fock and the relativistic configuration interaction methods, a consistent set of transition energies and radiative transition data for the main states of the $2s^2 2p^4$, $2s 2p^5$, $2p^6$, $2s^2 2p^3 3s$, $2s^2 2p^3 3p$, $2s^2 2p^3 3d$, $2s 2p^4 3s$, $2s 2p^4 3p$, and $2s 2p^4 3d$ configurations in O-like Ions between Ar XI ($Z = 18$) and Cr XVII ($Z = 24$) is provided. Our data set is compared with the NIST compiled values and previous calculations. The data are accurate enough for identification and deblending of new emission lines from hot astroph…
Energies of (2s2 2p5 3l3l') and (2s 2p6 3l3l') states for sodiumlike ions with Z =14--100 are evaluated to second order in relativistic many-body perturbation theory starting from a neonlike Dirac-Fock potential. Second-order Coulomb and Breit interactions are included. Correction for the frequency-dependence of the Breit interaction is taken into account in lowest order. The Lamb shift correction to energies is also included in lowest order. Intrinsic particle-particle-hole contributions to energies are found to be 20-30% of the sum of one- and two-body contributions. Comparisons are made wit…
Energy levels, normal and specific mass shift parameters as well as electronic densities at the nucleus are reported for numerous states along the beryllium, boron, carbon, and nitrogen isoelectronic sequences. Combined with nuclear data, these electronic parameters can be used to determine values of level and transition isotope shifts. The calculation of the electronic parameters is done using first-order perturbation theory with relativistic configuration interaction wave functions that account for valence, core-valence and core-core correlation effects as zero-order functions. Results are c…
Relativistic atomic structure calculations are carried out in alkaline-earth-metal ions using a semiempirical-core-potential approach. The systems are partitioned into frozen-core electrons and an active valence electron. The core orbitals are defined by a Dirac-Hartree-Fock calculation using the grasp2k package. The valence electron is described by a Dirac-like Hamiltonian involving a core-polarization potential to simulate the core-valence electron correlation. The associated equation is solved with the Lagrange-mesh method, which is an approximate variational approach having the form of a m…
A many-body theory approach developed by the authors [Phys. Rev. A 70, 032720 (2004)] is applied to positron bound states and annihilation rates in atomic systems. Within the formalism, full account of virtual positronium (Ps) formation is made by summing the electron-positron ladder diagram series, thus enabling the theory to include all important many-body correlation effects in the positron problem. Numerical calculations have been performed for positron bound states with the hydrogen and halogen negative ions, also known as Ps hydride and Ps halides. The Ps binding energies of 1.118, 2.718…
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.
Level energies, wavelengths, electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transition rates, oscillator strengths, and line strengths from combined relativistic configuration interaction and many-body perturbation calculations are reported for the 201 fine-structure states of the $2s^2 2p^6$, $2s^2 2p^5 3l$, $2s 2p^6 3l$, $2s^2 2p^5 4l$, $2s 2p^6 4l$, $2s^2 2p^5 5l$, and $2s^2 2p^5 6l$ configurations in all Ne-like ions between Cr XV and Kr XXVII. Calculated level energies and transition data are compared with experiments from the NIST and CHIANTI databases, an…
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…
Rigorous quantum electrodynamical calculation is presented for energy levels of the 1^1S, 2^1S, 2^3S, 2^1P_1, and 2^3P_{0,1,2} states of helium-like ions with the nuclear charge Z=3...12. The calculational approach accounts for all relativistic, quantum electrodynamical, and recoil effects up to orders mα^6 and m^2/Mα^5, thus advancing the previously reported theory of light helium-like ions by one order in α.
Excitation energies, oscillator strengths, and transition rates are calculated for (5d2+5d6s+6s2)--(5d6p+5d5f+6s6p) electric dipole transitions in Yb-like ions with nuclear charges Z ranging from 72 to 100. Relativistic many-body perturbation theory (RMBPT), including the retarded Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a [Xe]4f14 core Dirac-Fock potential. First-order RMBPT is used to obtain intermediate coupling coefficients, and second-order RMBPT is used to determine matrix elements. A detailed discussion …
We present ab initio calculations of the complete gauge-invariant set of two-photon exchange graphs for the $(1s)^2 2p_{3/2}$ electron configuration in Li-like ions. These calculations are an important step towards the precise theoretical determination of the $2p_{3/2}$-$2s$ transition energy in the framework of QED.
The hyperfine structures of the $2\,^3\!S_1$ and $2\,^3\!P_J$ states of the $^7$Be$^{2+}$ and $^9$Be$^{2+}$ ions are investigated within the framework of the nonrelativistic quantum electrodynamics (NRQED). The uncertainties of present hyperfine splitting results of $^9$Be$^{2+}$ are in the order of several tens of ppm, where two orders of magnitude improvement over the previous theory and experiment values has been achieved. The contribution of nuclear electric quadrupole moment to hyperfine splitting of $^7$Be$^{2+}$ has been studied. A scheme for determining the properties of Be nuclei in t…
The static and dynamic electric multipolar polarizabilities and second hyperpolarizabilities of the H$_2^+$, D$_2^+$, and HD$^+$ molecular ions in the ground and first excited states are calculated nonrelativistically using explicitly correlated Hylleraas basis sets. The calculations are fully nonadiabatic; the Born-Oppenheimer approximation is not used. Comparisons are made with published theoretical and experimental results, where available. In our approach, no derivatives of energy functions nor derivatives of response functions are needed. In particular, we make contact with earlier calcul…
The universal variational expansion for the non-relativistic three-body systems is explicitly constructed. Three-body universal expansion can be used to perform highly accurate numerical computations of the bound state spectra in arbitrary three-body systems, including Coulomb three-body systems with arbitrary particle masses and electric charges. Our main interest is related to the adiabatic three-body systems which contain one bound electron and two heavy nuclei of hydrogen isotopes: the protium $p$, deuterium $d$ and tritium $t$. We also consider the analogous (model) hydrogen ion ${}^{\inf…
Theoretical calculations of the Lamb shift provide the basis required for the determination of the Rydberg constant from spectroscopic measurements in hydrogen. The recent high-precision determination of the proton charge radius drastically reduced the uncertainty in the hydrogen Lamb shift originating from the proton size. As a result, the dominant theoretical uncertainty now comes from the two- and three-loop QED effects, which calls for further advances in their calculations. We review the present status of theoretical calculations of the Lamb shift in hydrogen and light hydrogen-like ions …
Calculations of energy levels, radiative rates and lifetimes are reported for eight ions of tungsten, i.e. S-like (W LIX) to F-like (W LXVI). A large number of levels has been considered for each ion and extensive configuration interaction has been included among a range of configurations. For the calculations, the general-purpose relativistic atomic structure package (GRASP) has been adopted, and radiative rates (as well as oscillator strengths and line strengths) are listed for all E1, E2, M1, and M2 transitions of the ions. Comparisons have been made with earlier available experimental and …
Calculations of energy levels, radiative rates and lifetimes are reported for 17 F-like ions with 37 $\le$ Z $\le$ 53. For brevity, results are only presented among the lowest 113 levels of the 2s$^2$2p$^5$, 2s2p$^6$, 2s$^2$2p$^4$3$\ell$, 2s2p$^5$3$\ell$, and 2p$^6$3$\ell$ configurations, although the calculations have been performed for up to 501 levels in each ion. The general-purpose relativistic atomic structure package (GRASP) has been adopted for the calculations, and radiative rates (along with oscillator strengths and line strengths) are listed for all E1, E2, M1, and M2 transitions of…
The fully relativistic multiconfiguration Dirac--Hartree--Fock method is used to compute excitation energies and lifetimes for the 143 lowest states of the $3s^23p^3$, $3s3p^4$, $3s^23p^23d$, $3s3p^33d$, $3p^5$, $3s^23p3d^2$ configurations in P-like ions from Cr X to Zn XVI. Multipole (E1, M1, E2, M2) transition rates, line strengths, oscillator strengths, and branching fractions among these states are also given. Valence-valence and core-valence electron correlation effects are systematically accounted for using large basis function expansions. Computed excitation energies are compared with t…
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.
A description of the DEPOSIT computer code is presented. The code is intended to calculate total and m-fold electron-loss cross sections (m is the number of ionized electrons) and the energy T(b) deposited to the projectile (positive or negative ion) during a collision with a neutral atom at low and intermediate collision energies as a function of the impact parameter b. The deposited energy is calculated as a 3D-integral over the projectile coordinate space in the classical energy-deposition model. Examples of the calculated deposited energies, ionization probabilities and electron-loss cross…
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.
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.
A relativistic description of the structure of heavy alkali atoms and alkali-like ions using S-spinors and L-spinors has been developed. The core wavefunction is defined by a Dirac-Fock calculation using an S-spinors basis. The S-spinor basis is then supplemented by a large set of L-spinors for the calculation of the valence wavefunction in a frozen-core model. The numerical stability of the L-spinor approach is demonstrated by computing the energies and decay rates of several low-lying hydrogen eigenstates, along with the polarizabilities of a $Z=60$ hydrogenic ion. The approach is then appli…
We report a calculation of relativistic corrections of order $mα^7$ to the Bethe logarithm for the $2^3S$ and $2^3P$ states of helium-like ions. The calculation is required for improving the accuracy of theoretical energies of helium-like ions and for checking the evaluation of the $mα^7$ effects in helium performed in [V. Patkóš, V. A. Yerokhin, K. Pachucki, Phys. Rev. A 103, 042809 (2021)], where a significant discrepancy with experimental results was found. The large-$Z$ limit of the relativistic Bethe logarithm is determined numerically, in excellent agreement with the analytical results o…
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.
Recently, N.~Singh and S.~Aggarwal [Pramana -- J. Phys. 89 (2017) 79] have reported energies and lifetimes for 127 levels of three Ne-like ions, namely Cu~XX, Zn~XXI and Ga~XXII. For the calculations they have adopted two independent atomic structure codes, i.e. GRASP and FAC, and have concluded that both codes give comparable energies. However, we find that the differences between the two sets of energies are up to 1.5~Ryd (over 1.6$\times$10$^5$ wavenumbers) for many levels, and for all three ions. In the absence of other available theoretical or experimental data, it becomes difficult to kn…
Energy levels, wavelengths, magnetic-dipole and electric-quadrupole transition rates between the low-lying states are evaluated for W$^{51+}$ to W$^{54+}$ ions with $3d^n$ (n = 2 to 5) electronic configurations using an approach combining configuration interaction with linearized coupled-cluster single-double method. The QED corrections are directly incorporated into the calculations and their effect is studied in detail. Uncertainties of the calculations are discussed. This first study of such highly charged ions with the present method opens the way for future applications allowing an accura…
Apropos to the growing interest in the study of long-range interactions which for their applications in cold atom physics, we have performed theoretical calculation for the two-dipole $C_6$ and three-dipole $C_9$ dispersion coefficients involving alkaline-earth atoms with alkaline-earth atoms and alkaline-earth ions. The $C_6$ and $C_9$ coefficients are expressed in terms of the dynamic dipole polarizabilities, which are calculated using relativistic methods. Thereafter, the calculated $C_6$ coefficients for the considered alkaline-earth atoms among themselves are compared with the previously …
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.
New approach to highly accurate calculations of the photodetachment cross-sections of the negatively charged hydrogen ions is developed. This effective, fast and numerically stable method is based on the use of the Rayleigh's formula for the spherical Bessel functions. Photodetachment cross-sections of the negatively charged hydrogen ion(s) ${}^{\infty}$H$^{-}$, ${}^{1}$H$^{-}$ (protium), ${}^{2}$H$^{-}$ (deuterium D$^{-}$) and ${}^{3}$H$^{-}$ (tritium T$^{-}$) are determined with the use of highly accurate, truly correlated, variational wave functions constructed for these ions. Our method al…
