We perform accurate calculations of the dependence of transition frequencies in two valence electron atoms and ions on a variation of the fine structure constant, alpha. The relativistic Hartree-Fock method is used with many-body perturbation theory and configuration interaction methods to calculate transition frequencies. The results are to be used in atomic-clock-type laboratory experiments designed to test whether alpha varies in time.
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 ac…
We report the development of a parallel FORTRAN code, RCCPAC, to solve the relativistic coupled-cluster equations for closed-shell and one-valence atoms and ions. The parallelization is implemented through the use of message passing interface, which is suitable for distributed memory computers. The coupled-cluster equations are defined in terms of the reduced matrix elements, and solved iteratively using Jacobi method. The ground and excited states coupled-cluster wave functions obtained from the code could be used to compute different properties of closed-shell and one-valence atom or ion. As…
We report on large-scale and critically evaluated {\em ab initio} MCDHF calculations of the wavelength of the "coronal", M1 transition $4f\ ^2\mathrm{F}_{5/2}^o-^2\mathrm{F}_{7/2}^o$ in Ag-like ions. The transition between these two fine structure levels, which makes up the ground term for $Z \ge 62$ in the isoelectronic sequence, has recently been observed in Yb$^{23+}$ and W$^{27+}$, where the latter could be of great importance for fusion plasma diagnostics. We present recommended values for all members of the sequence between $Z = 50$ and $94$, which are supported by excellent agreement wi…
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…
Ionization of highly charged relativistic ions by neutral atoms and ions is considered. Numerical results of recently developed computer codes based on the relativistic Born and the equivalent-photon approximations are presented. The ionization of the outer shells dominate. For the outer projectile electron shells, which give the main contribution to the process, the non-relativistic Schrödinger wave functions can be used. The formulae for the non-relativistic reduction of the Dirac matrix-elements are obtained for ionization of electrons with arbitrary quantum numbers $n$ and $\ell$.
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…
The absolute single photoionization cross-section was measured for Cl-like K$^{2+}$ over the photon energy range from 44.2 - 69.7 eV at a constant energy resolution of 0.045 eV. The experiments were performed by merging an ion beam with a beam of synchrotron radiation from an undulator. The ground-state ionization threshold was measured at 0.004 eV energy resolution to be 45.717 $\pm$ 0.030 eV. The measurements are rich in resonance structure due to multiple Rydberg series of transitions to autoionizing states. These series are assigned spectroscopically using the quantum defect method, guided…
We examine the contributions from triple excitation cluster operators in the relativistic coupled-cluster theory in atoms and ions. For this, we propose a tensor representation of the triple cluster operator. Based on this representaion and using diagrammatic analysis, we derive the linearized coupled-cluster equations for single, double and triple excitation cluster operators. The contributions from the triple cluster operators to the hyper fine structure constants of single-valence systems Rb and Sr$^+$ are analysed using the perturbed triples.
We have developed an all particle Fock-space relativistic coupled-cluster method for two-valence atomic systems. We then describe a scheme to employ the coupled-cluster wave function to calculate atomic properties. Based on these developments we calculate the excitation energies, magnetic hyperfine constants and electric dipole matrix elements of Sr, Ba and Yb. Further more, we calculate the electric quadrupole HFS constants and the electric dipole matrix elements of Sr$^+$, Ba$^+$ and Yb$^+$. For these we use the one-valence coupled-cluster wave functions obtained as an intermediate in the tw…
Relative cross sections for the valence shell photoionisation (PI) of $\rm ^2S$ ground level and $\rm ^2D$ metastable Ca$^{+}$ ions were measured with high energy resolution by using the ion-photon merged-beams technique at the Advanced Light Source. Overview measurements were performed with a full width at half maximum bandpass of $ΔE =17$~meV, covering the energy range 20~eV -- 56~eV. Details of the PI spectrum were investigated at energy resolutions reaching the level of $ΔE=3.3$~meV. The photon energy scale was calibrated with an uncertainty of $\pm5$~meV. By comparison with previous absol…
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 Hartree-Fock method together with many-body perturbation theory and configuration interaction techniques are used to calculate relativistic energy shifts for frequencies of the strong electric dipole transitions of C III, C IV, Na I, Mg I, Mg II, Al II, Al III, Si IV, Ca II and Zn II. These transitions are used for search of the variation of the fine structure constant in quasar absorption spectra. The results are in good agreement with previous calculations. The analysis of Breit contributions is also presented.
Neutral uranium (U I) is a very difficult atom for theoretical calculations due to a large number of valence electrons, six, strong valence-valence and valence-core correlations, high density of states, and relativistic effects. Configuration-interaction many-body perturbation theory (CI-MBPT) can treat efficiently valence-core correlations and relativistic effects, but because the formalism was developed for Dirac-Hartree-Fock (DHF) starting potential that does not contain valence electrons, quite large CI space is needed to compensate for +6 charge of such a potential. Much more efficient is…
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.
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…
Absolute cross-section measurements for valence-shell photoionization of Ar$^{+}$ ions are reported for photon energies ranging from 27.4 eV to 60.0 eV. The data, taken by merging beams of ions and synchrotron radiation at a photon energy resolution of 10 meV, indicate that the primary ion beam was a statistically weighted mixture of the $^2P^o_{3/2}$ ground state and the $^2P^o_{1/2}$ metastable state of Ar$^{+}$. Photoionization of this C$\ell$-like ion is characterized by multiple Rydberg series of autoionizing resonances superimposed on a direct photoionization continuum. Observed resonanc…
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
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…
We report on experimental and theoretical results for the photoionization of Ag-like xenon ions, Xe$^{7+}$, in the photon energy range 95 to 145~eV. The measurements were carried out at the Advanced Light Source at an energy resolution of $Δ$E = 65 meV with additional measurements made at $Δ$E = 28 meV and 39 meV. Small resonance features below the ground-state ionization threshold, at about 106 eV, are due to the presence of metastable Xe$^{7+} (4d^{10} 4f~^2{\rm F}^{\circ}_{5/2,7/2})$ ions in the ion beam. On the basis of the accompanying theoretical calculations using the Dirac Atomic R-mat…
High-resolution photoionization experiments were carried out using beams of Be-like C$^{2+}$, N$^{3+}$, and O$^{4+}$ ions with roughly equal populations of the $^1$S ground-state and the $^3$P$^o$ manifold of metastable components. The energy scales of the experiments are calibrated with uncertainties of 1 to 10 meV depending on photon energy. Resolving powers beyond 20,000 were reached allowing for the separation of contributions from the individual metastable $^3$P$^o_0$, $^3$P$^o_1$, and $^3$P$^o_2$ states. The measured data compare favourably with semi-relativistic Breit-Pauli R-matrix
A version of the configuration interaction (CI) method is developed which treats highly excited many-electron basis states perturbatively, so that their inclusion does not affect the size of the CI matrix. This removes, at least in principle, the main limitation of the CI method in dealing with many-electron atoms or ions. We perform calculations of the spectra of iodine and its ions, tungsten, and ytterbium as examples of atoms with open $s$, $p$, $d$ and $f$-shells. Good agreement of the calculated data with experiment illustrates the power of the method. Its advantages and limitations are d…
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.
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.
The non-resonant two-photon ionization of hydrogen-like ions is studied in second-order perturbation theory, based on the Dirac equation. To carry out the summation over the complete Coulomb spectrum, a Green function approach has been applied to the computation of the ionization cross sections. Exact second-order relativistic cross sections are compared with data as obtained from a relativistic long-wavelength approximation as well as from the scaling of non-relativistic results. For high-Z ions, the relativistic wavefunction contraction may lower the two-photon ionization cross sections by a…
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…
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…
Recent progress in the study of the photon emission from highly-charged heavy ions is reviewed. These investigations show that high-$Z$ ions provide a unique tool for improving the understanding of the electron-electron and electron-photon interaction in the presence of strong fields. Apart from the bound-state transitions, which are accurately described in the framework of Quantum Electrodynamics, much information has been obtained also from the radiative capture of (quasi-) free electrons by high-$Z$ ions. Many features in the observed spectra hereby confirm the inherently relativistic behav…
In this work, analytical formulas for the static multipole polarizabilities of hydrogen-like ions are derived by using the analytical wave functions and the reduced Green function and by applying a numerical fitting procedure. Our results are then applied to the studies of blackbody radiation shifts to atomic energy levels at different temperatures. Our analytical results can be served as a benchmark for other theoretical methods.
Absolute photoionization cross sections for the Rb$^{2+}$ ion were recently measured at high resolution over the energy range 37.31 eV -- 44.08~eV, with autoionizing Rydberg resonance series identified, using the photon-ion merged-beam setup at the Advanced Light Source (\textsc{als}) in Berkeley {(Macaluso D A et. al. J. Phys. B: At. Mol. Opt. Phys. {\bf 49} (2016) 235002; {\bf 50} (2017) 119501)}. Detailed photon-energy scans taken at 13.5 $\pm$ 2.5 meV bandwidth illustrated multiple Rydberg resonance series associated with the ground and metastable states. Here we present theoretical cross …
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.
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.
Wavefunction-splitting or mask method, widely used in the non-relativistic calculations of the photoelectron angular distributions, is extended to the relativistic domain within the dipole approximation. Since the closed-form expressions for the relativistic Volkov states are not available within the dipole approximation, we build such states numerically solving a single second-order differential equation. We calculate the photoelectron energy spectra and angular distributions for highly charged ions under different ionization regimes with both the direct and the relativistic mask methods. We …
Photoionization of Kr$^+$ ions was studied in the energy range from 23.3 eV to 39.0 eV at a photon energy resolution of 7.5 meV. Absolute measurements were performed by merging beams of Kr$^+$ ions and of monochromatized synchrotron undulator radiation. Photoionization (PI) of this Br-like ion is characterized by multiple Rydberg series of autoionizing resonances superimposed on a direct photoionization continuum. Resonance features observed in the experimental spectra are spectroscopically assigned and their energies and quantum defects tabulated. The high-resolution cross-section measurement…
We present a generalization of the pioneering results obtained for single K-shell photoionization of H-like ions by M. Stobbe [Ann. Phys. 7 (1930) 661] to the case of the helium isoelectronic sequence. The total cross section of the process is calculated, taking into account the correlation corrections to first order of the perturbation theory with respect to the electron-electron interaction. Predictions are made for the entire non-relativistic energy domain. The phenomenon of dynamical suppression of correlation effects in the ionization cross section is discussed.
We have developed one electron detachment theory from a closed-shell atomic configuration in the relativistic Fock-space coupled-cluster ansatz. Using this method, we determine sensitivity coefficients to the variation of the fine structure constant in the first three important low-lying transitions of the astrophysically interesting highly charged Mn IX, Fe X, Co XI and Ni XII ions. The potential of this method has been assessed by evaluating the detachment energies of the removed electrons and determining lifetimes of the atomic states in the above ions. To account the sensitivity of the hig…
We use the perturbed relativistic coupled-cluster theory to compute the static electric dipole polarizabilities of the singly ionized alkali atoms, namely, Na$^+$, $^+$, Rb$^+$, Cs$^+$ and Fr$^+$. The computations use the Dirac-Coulomb-Breit Hamiltonian with the no-virual-pair approximation and we also estimate the correction to the static electric dipole polarizability arising from the Breit interaction.
We have developed a Fock-space relativistic coupled-cluster theory based method for the calculation of electric dipole polarizability of one-valence atoms and ions. We employ this method to compute the ground-state and spin-orbit coupled excited state electric dipole polarizability of Al and In. To check the quality of many-electron wavefunctions, we also compute the excitation energies of some low-lying states of Al and In. The effects of Breit interaction and QED corrections from the Uehling potential and the self-energy are included to improve the accuracy of $α$ further. Our recommended va…
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.
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 …
Energies and Auger widths of the $LL$ resonances in He-like ions from boron to argon are evaluated by means of a complex scaled configuration-interaction approach within the framework of the Dirac-Coulomb-Breit Hamiltonian. The nuclear recoil and QED corrections are also taken into account. The obtained results are compared with other calculations based on the complex scaling method as well as with the related results evaluated using the stabilization and basis balancing methods.
We demonstrate that $V^{N-M}$ approximation is a good starting point for the configuration interaction calculations for many-electron atoms and ions. $N$ is the total number of electrons in the neutral atom, $M$ is the number of valence electrons. $V^{N-M}$ is the self-consistent Hartree Fock potential for a closed-shell ion with all valence electrons removed. Using of the $V^{N-M}$ approximation considerably simplifies the many-body perturbation theory for the core-valence correlations. It makes it easier to include higher-order correlations which often significantly improves the accuracy of …
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…
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 two-photon ${1s}^{2} 2s 2p~^3\mbox{P}_0 \rightarrow {1s}^{2} {2s}^2$ $^1\mbox{S}_0$ transition in berylliumlike ions is theoretically investigated within a full relativistic framework and a second-order perturbation theory. We focus our analysis on how electron correlation, as well as the negative-energy spectrum can affect the forbidden $E1M1$ decay rate. For this purpose we include the electronic correlation by an effective potential and within an active-electron model. Due to its experimental interest, evaluation of decay rates are performed for berylliumlike xenon and uranium. We find …
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…
Ionization potentials, excitation energies, transition properties, and hyperfine structure constants of the low-lying $3p^6 3d^{9} \ ^2D_{5/2}$, $3p^6 3d^{9} \ ^2D_{3/2}$, $3p^5 3d^{10} \ ^2P_{3/2}$ and $3p^5 3d^{10} \ ^2P_{1/2}$ atomic states of the Co-like highly-charged ions such as Y$^{12+}$, Zr$^{13+}$, Nb$^{14+}$, Mo$^{15+}$, Tc$^{16+}$, Ru$^{17+}$, Rh$^{18+}$, Pd$^{19+}$, Ag$^{20+}$ and Cd$^{21+}$ are investigated. The singles and doubles approximated relativistic coupled-cluster theory in the framework of one electron removal Fock-space formalism is employed over the Dirac-Hartree-Fock…
We study relativistic collisions between helium-like uranium ions initially in the ground state and atoms in which, in a single collision event, one of the electrons of the ion is emitted and the other is transferred into an excited state of the residual hydrogen-like ion. We consider this two-electron process at not very high impact energies, where the action of the atom on the electrons of the ion can be well approximated as occurring solely due to the interaction with the nucleus of the atom and, hence, the process can be regarded as a four-body problem. Using the independent electron model…
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…
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…
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…
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…
The \textsc{Greens} library is presented which provides a set of C++ procedures for the computation of the (radial) Coulomb wave and Green's functions. Both, the nonrelativistic as well as relativistic representations of these functions are supported by the library. However, while the wave functions are implemented for all, the bound and free--electron states, the Green's functions are provided only for bound--state energies $(E < 0$). Apart from the Coulomb functions, moreover, the implementation of several special functions, such as the Kummer and Whittaker functions of the first and second …
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…
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…
Spectroscopic properties, useful for plasma diagnostics and astrophysics, of a few rubidium-like ions are studied here. We choose one of the simplest, but correlationally challenging series where $d-$ and $f-$ orbitals are present in the core and/or valence shells with $4d$ $^2D_{3/2}$ as the ground state. We study different correlation characteristics of this series and make precise calculations of electronic structure and rates of electromagnetic transitions. Our calculated lifetimes and transition rates are compared with other available experimental and theoretical values. Radiative rates o…
Energy levels of the $1sns$ and $1snp$ states of ions along the helium isoelectronic sequence from carbon to uranium are calculated, with $n=3$-$7$. The computation is performed within the relativistic configuration-interaction method, including the relativistic nuclear recoil effect, the leading QED effects, and the frequency dependence of the Breit interaction. All theoretical energies are supplied with uncertainty estimates.
