Results of calculations describing secondary-electron production and other inelastic processes in collisions of 1 to 25,000 keV/u Sq+ (q=−1–16) with H2 are presented. These data complement previous results for the same processes in Oq+ (q=−1–8) + H2 (Schultz et al. 2017, 2019) and for Hq+ (q=−1,0,1) (Schultz et al. 2020). Used in ion-transport and secondary-electron simulations, these data provide

Presented here are internal conversion coefficients (ICCs) for nuclear transitions of low γ-ray energies from 0.1 keV to 1 keV in elements with 10≤Z≤118. The low-energy nuclear transitions attract significant interest since the novel experimental technique and methods make it possible to study the transitions as well as to discover new low-lying isomers. Our ICC calculations are shown to be in excellent

An existing set of vibrationally resolved ionization cross section for the ground state and the first excited states of the hydrogen molecule, based on the Gryzinski method, is extended by cross sections for the isotopomeres of H2 (i.e. D2, T2, HD, HT, and DT), both for non-dissociative and dissociative ionizations. The comparison of cross sections for non-dissociative ionization of H2 with results

A Monte-Carlo method for the generation of correlation and covariance matrices for independent and cumulative fission yields has been developed. The method uses a constrained Monte-Carlo resampling structure in order to vary evaluated fission yield libraries in a way that meets basic conservation principles. This results in the generation of correlation/covariance matrices with limited model bias and

The root-mean-square (rms) charge radii of 236 nuclides measured by laser spectroscopy experiment are compiled, and the uncertainties are calculated. From the rms charge radii of Mg isotope chain, the new magic number N=14 can be observed, and the traditional magic number N=20 disappears in the K isotope chain. A good linear relationship between the difference of the mirror nuclear charge radii and

Rate coefficients for the dissociative recombination, vibrational excitation and vibrational de-excitation of the BeT+ ion for all vibrational levels of its ground electronic state (X1Σ+,vi+=0,…,27) are reported, including in the calculation the contribution of super-excited states of the BeT complex pertaining to three electronic symmetries - 2Π, 2Σ+, and 2Δ. These data are suitable for the kinetic

We report on theoretical total cross sections for electron capture from the ground state of atomic hydrogen H(1s) by fast multiply-charged nuclei H+, He2+, Li3+, Be4+, B5+, C6+, N7+, O8+ and F9+. The prior form of the boundary-corrected continuum intermediate states (BCIS) method is used. For a single fixed initial ground-state (i=1s), comprehensive computations are carried out for a sequence of the

We disclose relativistic multiconfiguration Dirac–Hartree–Fock (MCDHF) spectrum calculations for He-like-ions with Z=72–76. The excitation energy and the oscillator strength values have been computed for the 127 odd- and even-parity states as well as lifetimes and transition rates between different states. To study the accuracy of our results, we have implemented parallel calculations using a Flexible

The screening effect of dense quantum plasmas on the ground and singly excited states of two-electron atoms are investigated by employing the explicitly correlated Hylleraas configuration-interaction wave functions in the framework of Ritz variational principle. Exponential cosine screened Coulomb potential is used to model the electron–nucleus​ and interelectronic interactions in the atomic systems

In this paper, we present the tune-out and magic wavelengths of the Mg+, Ca+, Sr+ and Ba+ alkaline earth-metal ions by determining dynamic E1 polarizabilities. Furthermore, we have evaluated the electric quadrupole (E2) matrix elements of a large number of forbidden transitions using an all-order relativistic many-body method and compare them with the previously reported values for a few selective

Relativistic perturbation theory with model potential of zero approximation is used for calculation of the energy levels 3p63d94ℓ, 3p53d104ℓ (ℓ=1–3) of Ni-like ions with Z=36–56. The known ionization potentials of Ni-like ions used in calculations are corrected here. The dipole and quadrupole electric and magnetic probabilities of radiative transitions to the ground state are presented in graphs. It

We present a comprehensive set of vibrationally-resolved cross sections for electron-impact electronic excitation of the isotopologues of molecular hydrogen (D2, T2, HD, HT, and DT) initially in the ground electronic state. We apply the adiabatic-nuclei molecular convergent close-coupling (MCCC) method to calculate cross sections from threshold to 500 eV for excitation of all bound vibrational levels

We systematically determine ground-state and saddle-point shapes and masses for 1305 heavy and superheavy nuclei with Z=98–126 and N=134–192, including odd-A and odd–odd systems. From these we derive static fission barrier heights, one- and two-nucleon separation energies, and Qα values for g.s. to g.s. transitions. Our study is performed within the microscopic–macroscopic method with the deformed

Systematic theoretical calculations of the ground state of atomic radii and singly charged negative ionic radii for elements with 1 ≤ Z ≤ 118 have been performed in a multi-configuration Dirac–Hartree–Fock method including all relativistic effects. Three radii of atoms and singly charged negative ions are computed in this work. They are the radii of the maximum radial charge density of every subshell

Theoretical photoionization cross sections which are used in the XPS and HAXPES data processing correspond to the main line along with shake-up satellites and shake-off continuum. The main line intensity is proportional to the photoionization cross section and the spectroscopic factor. Nevertheless photoionization cross sections can be used in XPS for estimation of relative intensities since the spectroscopic

Unitarization for a relativistic distorted-wave approximation has been made by using two types of scattering matrix for reactance matrix and the electron-impact excitation cross sections for Ar and Ar+ are calculated by the unitarized relativistic distorted-wave method. The unitarization by using the scattering matrix obtained from diagonalization of the reactance matrix significantly reduces the cross

The quasirelativistic approach was used to derive transition data for the Rh-like W29+ tungsten ion. The quasirelativistic approach was developed specifically for the calculation of spectral parameters of highly charged ions. The relativistic effects were taken into account in the Breit–Pauli approximation. The configuration interaction method was applied to include electron correlation effects. The

Accurate values of electric dipole (E1) amplitudes along with their uncertainties for a number of transitions among low-lying states of Mg+, Ca+, Sr+, and Ba+ are listed by carrying out calculations using a relativistic all-order many-body method. By combining experimental wavelengths with these amplitudes, we quote transition probabilities, oscillator strengths and lifetimes of many short-lived excited

The radiative recombination and photoionization cross sections as well as the radiative recombination rate coefficients and the radiated power loss rate coefficients are presented for the low-charged tungsten ions from W3+ to W13+. The data are essential to diagnostic and modeling the divertor plasmas impurities in the ITER tokamak because tungsten has been resolved to use as a plasma-facing material

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 2s22p4, 2s2p5, 2p6, 2s22p33s, 2s22p33p, 2s22p33d, 2s2p43s, 2s2p43p, and 2s2p43d 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

A simple pure-exponential type wavefunction in the Ritz variational framework has been proposed to estimate precise eigenenergies and radial distributions of nl [n= 1–8; l= 0–7] states of 2L [L= 0–7] symmetry of hydrogen iso-electronic ions (Z=1–18) under classical weakly coupled plasma and dense quantum plasma environment. Critical screening parameters, beyond which the ions cease to be in a bound

The atomic states of the W IX (W8+) tungsten ion lying below the W9+ ionisation threshold have been studied theoretically, employing the multiconfiguration Dirac–Hartree–Fock method with configuration interaction. The level electronic structures and their energies are presented. The electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) radiative transitions

We present a comprehensive set of vibrationally-resolved cross sections for electron-impact electronic excitation of molecular hydrogen suitable for implementation in collisional-radiative models. The adiabatic-nuclei molecular convergent close-coupling method is used to calculate cross sections for excitation of all bound vibrational levels and dissociative excitation of the B1Σu+, C1Πu, EF1Σg+, B′1Σu+

Single ionization by electron impact is studied in the Si atom by performing level-to-level calculations. Direct and indirect processes of the ionization are investigated for all levels of the ground configuration. It is demonstrated that cross sections are heavily dependent on the initial level for which the ionization is considered. The cross sections of the indirect process differ by more than a

In this paper we present tabulated data for relative diamagnetic and paramagneticcontributions to the magnetizability (χ) of the relativistic hydrogenlike atoms with a pointlike, motionless and spinless nucleus of charge Ze. Utilizing general analytical formulas for the diamagnetic (χd) and paramagnetic (χp) components of χ, recently derived by us (P. Stefańska, 2020) with the aid of the Gordon decomposition

We disclose relativistic multiconfiguration Dirac–Hartree–Fock (MCDHF) spectrum calculations for He-like-Pt. Energy levels and weighted oscillator strengths are calculated for 127 odd- and even-parity states as well as lifetimes and transition rates between these states. For comparative purpose, we have implemented parallel calculations using a Flexible Atomic Code (FAC) by introducing the relativistic

Radiative and Auger cascade following the 2p shell vacancy creation in the Fe2＋ ion is studied by analysing transitions among energy levels and subconfigurations. Branching ratios of the cascade are analysed and main decay mechanisms are identified for all levels of the Fe3＋ 2p53d6 configuration. The study shows that ion yield strongly depends on the level the cascade starts from. The cascade produces

Semi-empirical model potential calculations of excitation energies, fine structure splittings, oscillator strengths and line strengths ratios were computed for high Rydberg transitions in principal, sharp and diffuse series of thallium one-electron spectrum with allowance for core–valence electron correlations in core polarization picture. Relativistic effects are fully included through solving Dirac

The excitation energy and the oscillator strength values have been computed for the 1s2–1s2p, 1s2s–1s2p, 1s2s–1s3p transitions in the helium isoelectronic sequence (Z=2 through Z=116). The importance of the Breit interaction and radiative corrections to the oscillator strength as well as transition energies have been studied. The method of calculations was based on the relativistic hydrogen-like (with

In this work a semi-empirical analysis of the odd configurations system of atomic tin is presented. A multiconfiguration parametric calculation on the basis of 184 configurations have been performed by taking into account the second-order of the perturbation theory. Satisfactory consistency of the values of experimental and calculated energy levels and Landé gJ was found. The eigenvector amplitudes

Energy levels and transition rates for electric-dipole, electric-quadrupole, electric-octupole, magnetic-dipole, and magnetic-quadrupole transitions among the levels arising from the n≤ 5 configurations in B-like Kr XXXII are calculated by using two state-of-the-art methods, namely, the multi-configuration Dirac–Hartree–Fock (MCDHF) approach and the second-order many-body perturbation theory (RMBPT)

Measured atomic masses published from 2016 onwards have been compiled and are presented here. The measurements are compared to the values from the Atomic Mass Evaluation 2016 (Wang et al., 2017). β-, and α-decay Q-values as well as one- and two-nucleon separation energies are deduced using the newly measured mass excesses.

In the present paper, the radiative properties of three ions belonging to the erbium isoelectronic sequence, i.e. Lu IV, Hf V and Ta IV, are reported and the effect of configuration interaction on these properties are taken into account for the first time to our knowledge. These heavy elements with Z=71–73 are located near to tungsten (Z=74) in the Periodic Table and are of potential interest in controlled

Semi-empirical model potential calculations of oscillator strengths for Rydberg transitions in principal, sharp and diffuse series of gold one-electron spectrum are presented. Relativistic effects are fully included through solving Dirac equations and core–valence electron correlation is represented in core polarization picture by appropriate part in model potential. The dipole-moment operator of transition

All available experimental data on isotope shifts and absolute frequency measurements in the optical spectra of Ca I and Ca II are re-evaluated, and from them complete tables of isotope shifts and energy levels of all Ca isotopes from 36 to 52 are derived. A global least-squares fitting of these data was performed. From this fit, the field and mass shift constants for all involved transitions and energy

The relativistic multiconfiguration Dirac–Hartree–Fock (MCDHF) method has been employed to calculate the atomic parameters of Mo XVIII, which are important for fusion determination of plasma properties in different conditions. Atomic data, such as energy levels, lifetimes, wavelengths, spectroscopic labels, and transition rates for the transitions among the lowest 112 states of the 3 s23p63d7, 3 s23p53d8

Beta+-delayed proton (or α) emission is a typical decay mode of very neutron-deficient nuclei. Valuable information for the ground state in the precursor, such as half-life, spin, and parity, can be obtained by studying the β+-p decay properties. The high efficiency and unique experimental signature for detecting protons allow one to study states in the β +-decay daughter that are not accessible through

In this paper, we present a compilation of the measured photon-induced Kβ/Kα intensity ratio values published in the literature from 1969 to 2018. In the considered period, we found about 1118 values (127 papers) for elements with 11≤Z≤96. The analysis of the distribution of these experimental data values in function of the atomic number shows that almost all the elements from 11Na to 96Cm are covered

The ab initio quasirelativistic approach was used to derive transition data for Pd-like tungsten W28+ ion. This approach was developed specifically for the calculation of spectral parameters for highly charged ions. The relativistic effects were taken into account in the Breit–Pauli approximation. The configuration interaction method was applied to include electron correlation effects. The ground configuration

To extend the range of data required for modeling the secondary-electron production from ion precipitation into the upper atmosphere of Jupiter, inelastic processes for collisions of 1 keV to 25 MeV H+, H, and H− with H2 are considered. As in other work treating the dominant heavy-ion species of magnetospheric origin, O and S ions (Schultz et al., 2017, 2019; Gharibnejad et al., 2019) the classical

The natural widths, lifetimes, and fluorescence yields for the double K-shell hole states have been calculated for atoms with 10 ≤ Z ≤ 30. The Grasp2018 package was adopted to carry out a systematic computation of the Khα1,2 and Khβ1,3 radiative transition rates and Fac was used to calculate the KK−KLL, KK−KLM, and KK−KMM non-radiative Auger transition rates. The dependence of the radiative and non-radiative

The energy levels, oscillator strengths, radiative decay rates, lifetimes, collision strengths, direct and resonance electron-impact excitation rate coefficients have been computed for the 257 fine-structure levels arising from 1s22s22p5nl and 1s22s2p6n′l′ configurations belonging to the Mo32+ ion with n≤7, l≤4 and n′≤5, l′≤4. The model-potential approach is used for the target ion structure calculations

Paschen-series spectral lines have been calculated for H atoms in the presence of strong magnetic fields. Wavelengths and transition probabilities are presented for 54 electric dipole transitions as a function of magnetic field strengths ranging from ∼ 0.001 a.u. to ∼ 1 a.u. The effect of the finite proton mass is taken into account. The present calculations involve five symmetries 0±, (−1)±, and (−2)+

Energy levels, radiative rates and lifetimes are reported for four S-like ions, namely Sc VI, V VIII, Cr IX, and Mn X. Two independent atomic structure codes, namely the general-purpose relativistic atomic structure package (grasp) and the flexible atomic code (fac), have been adopted for calculating the energy levels, with differing amounts of configuration interaction. This is mainly to make some

Using fully relativistic multiconfiguration Dirac–Fock (MCDF) wavefunctions in an active space approximation, we perform systematic calculations of the energies, wavelengths, and lifetimes for the lowest 143 levels belonging to the 3p63d6 and 3p53d7 configurations of Cr-like ions between Hf XLIX and Au LVI. Additionally, line strengths, oscillator strengths, and radiative rates for the electric dipole

A new tabulation of electronic factors is reported for electron conversion for elements of Z from 5 to 126 and electronic factors for electron–positron pair conversion for elements of even Z from 4 to 100. The electronic factors for electron conversion, ΩCE(E0), were calculated using a modified version of the CATAR program developed by Pauli and Raff with a relativistic-Hartree–Fock–Slater approach

Capture of a K-shell electron by bare fast ions H+, He2+ and Li3+ from multi-electron atomic targets (carbon, nitrogen, oxygen, neon and argon) is theoretically studied by means of the four-body boundary-corrected first Born approximation. In a wide impact energy interval ranging from 100 to 40 000 keV/amu, extensive tables of the obtained state-selective cross sections Qnlm are presented for each

Using a semiclassical close-coupling approach, we have calculated electron capture, excitation and ionization cross sections for collisions of fully stripped hydrogen, helium and lithium ions with atomic hydrogen in the ground state and in all excited states up to n=3. The cross sections for collision energies between 1 and 100 keV/u are given in table form. Furthermore, we provide estimates of the

We disclose relativistic multiconfiguration Dirac–Hartree–Fock (MCDHF) spectrum calculations for SnXLIX. Energy levels, weighted oscillator strengths, isotope shifts, hyperfine structure and Landé gJ factors are calculated for 127 odd- and even-parity states as well as lifetimes and transition rates between these states. To scrutinize the accuracy of our results, we have implemented parallel calculations

Presented here are the photoionization cross sections and parameters of the photoelectron angular distribution for inner atomic subshells with binding energies beyond 1.5 keV in the photon energy range from 2 keV to 12 keV. The calculations are an extension of our previous paper containing the photoionization parameters for comparatively outer shells with binding energies lower than 1.5 keV (Trzhaskovskaya

This work describes a library of shape functions and singly differential cross sections of bremsstrahlung due to interaction of the electrons with energies from 10 eV to 3 MeV with neutral atoms. The calculations have been performed using an updated version of the set of codes BREMS, which was described in a previous publication. The calculation method is based on the relativistic partial-wave formulation

In the first part of this global work, we have achieved the fine and hyperfine structure (fs and hfs) parametric study of even-parity levels, which confirmed in the whole the well-founded basis of previous analyses. Unfortunately, in the present work devoted to odd-parity levels, some divergences appear. For instance, the three levels w5P3, w5P2, w5P1 located respectively at 86898, 86937 and 86961

In this paper, energy levels, radiative rates and lifetimes are reported for 11 F-like ions with 12 ≤ Z ≤ 23. Up to 198 levels (depending on the ion) have been considered which include 113 of the 2s22p5, 2s2p6, 2s22p43ℓ, 2s2p53ℓ, and 2p63ℓ configurations. The general-purpose relativistic atomic structure package (grasp) and the flexible atomic code (fac) have been adopted for calculating the energy

In the critical compilation of experimental and theoretical data on the H, D, and T spectra (Kramida, 2010), there were errors in some of the hyperfine structure parameters for deuterium. These errors are corrected here.

Energy levels and transition rates for electric-dipole, electric-quadrupole, magnetic-dipole, and magnetic-quadrupole transitions among the levels arising from the n≤5 configurations in Al-like Cu XVII are calculated respectively by two state-of-the-art methods, namely, the Multi-Configuration Dirac–Hartree–Fock approach and the second-order many-body perturbation theory. Our results are compared with

Analytic fits to the recommended electron-impact excitation and ionization cross sections for Be I are presented. The lowest 19 terms of configurations 2s nl (n ≤ 4) and 2p2 terms below the first ionization limit are considered. The fits are based on the accurate calculations with the convergent close coupling (CCC) method as well as the B-spline R-matrix (BSR) approach. The fitted cross sections provide

To improve the physical completeness of the data previously calculated (Schultz et al., 2017) to enable modeling of the effects of secondary electrons produced by energetic ion precipitation at Jupiter, we extend the treatment to include inelastic processes that occur simultaneously on the projectile (Oq+, q=0–8)) and target (H2). Here, processes considered in the previous work (single and double ionization

Energies, E1, E2 and M1 transition rates and lifetimes are reported for the lowest 134 fine-structure levels of the 3p63d2, 3p63d4s, 3p53d3 and 3p63d4p configurations in all Ca-like ions between Co VIII and Zn XI. The calculations have been performed using the multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods. Important core–valance and core–core

Energy levels, weighted oscillator strengths and transition probabilities, lifetimes, hyperfine interaction constants, Landé gJ factors and isotope shifts are calculated for all levels of 1s2 and 1snl (n=2−7) configurations of He-like xenon ion (Xe LIII). Multiconfigurational Dirac–Hartree–Fock (MCDHF) method is adopted for calculating these spectroscopic data. Comparisons are made with similar data

We tabulate the ground-state odd-proton and odd-neutron spins and parities, proton and neutron pairing gaps, one- and two-neutron separation energies, quantities related to β-delayed one- and two-neutron emission probabilities, average energy and average number of emitted neutrons, β-decay energy release and half-life with respect to Gamow–Teller decay with a phenomenological treatment of first-forbidden