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We introduce the pCI software package for high-precision atomic structure calculations. The standard method of calculation is based on the configuration interaction (CI) method to describe valence correlations, but can be extended to attain better accuracy by including core correlations via many-body perturbation theory (CI+MBPT) or the all-order (CI+all-order) method, as well as QED corrections via QEDMOD. The software package enables calculations of atomic properties, including energy levels, g-factors, hyperfine structure constants, multipole transition matrix elements, polarizabilities, and isotope shifts. It also features modern high-performance computing paradigms, including dynamic memory allocations and large-scale parallelization via the message-passing interface, to optimize and accelerate computations., Comment: 22 pages, 6 tables, 2 figures

Using novel metallic magnetic calorimeter detectors at the CRYRING@ESR, we recorded X-ray spectra of stored and electron cooled helium-like uranium (U$^{90+}$) with an unmatched spectral resolution of close to 90 eV. This allowed for an accurate determination of the energies of all four components of the K$\alpha$ transitions in U$^{90+}$. We find good agreement with state-of-the-art bound-state QED calculations for the strong-field regime. Our results do not support any systematic deviation between experiment and theory in helium-like systems, the presence of which was subject of intense debates in recent years.

Intensities in Tm I emission series originating from a common upper level are measured using a Fourier transform spectrometer. The derived relative transition probabilities within each series are compared to the theoretical predictions obtained from large-scale calculations that combine configuration interaction with many-body perturbation theory. Moreover, the Tm I spectrum recorded in an external magnetic field is analyzed. Our theoretical results well describe the current measurements and show no more than a two-fold difference from previous experimental data on absolute transition probabilities. Additionally, Land\'e g factors, hyperfine structure constants, and atomic electric quadrupole moments for several levels of interest are computed and compared to experimental observations, where available.

Present atomic theory provides accurate and reliable results for atoms with a small number of valence electrons. However, most current methods of calculations fail when the number of valence electrons exceeds four or five. This means that we can not make reliable predictions for more than a half of the periodic table. Here we suggest a modification of the CI+MBPT (configuration interaction plus many-body perturbation theory) method, which may be applicable to atoms and ions with filling d and f shells., Comment: 11 pages, 6 figures, submitted to PRA

We study the electron-loss-to-continuum (ELC) cusp experimentally and theoretically by comparing the ionization of U$^{89+}$ projectiles in collisions with N$_2$ and Xe targets, at a beam energy of 75.91 MeV/u. The coincidence measurement between the singly ionized projectile and the energy of the emitted electron is used to compare the shape of the ELC cusp at weak and strong perturbations. A significant energy shift for the centroid of the electron cusp is observed for the heavy target of Xe as compared to the light target of N$_2$. Our results provide a stringent test for fully relativistic calculations of double-differential cross sections performed in the first-order approximation and in the continuum-distorted-wave approach.

In slow collisions of two bare nuclei with the total charge number larger than the critical value, $Z_{\rm cr} \approx 173$, the initially neutral vacuum can spontaneously decay into the charged vacuum and two positrons. Detection of the spontaneous emission of positrons would be the direct evidence of this fundamental phenomenon. However, the spontaneous emission is generally masked by the dynamical positron emission, which is induced by a strong time-dependent electric field created by the colliding nuclei. In our recent paper [I.A. Maltsev et al., Phys. Rev. Lett. 123, 113401 (2019)] it has been shown that the spontaneous pair production can be observed via measurements of the pair-production probabilities for a given set of nuclear trajectories. In the present paper, we have significantly advanced this study by exploring additional aspects of the process we are interested in. We calculate the positron energy spectra and find that these spectra can give a clear signature of the transition from the subcritical to the supercritical regime. It is found that focusing on a part of the positron spectrum, which accounts for the energy region where the spontaneously created positrons can contribute, allows to get a much stronger evidence of the transition to the supercritical mode, making it very well pronounced in collisions, for example, of two uranium nuclei. The possibility of extending this study to collisions of bare nuclei with neutral atoms is also considered. The probability of a vacancy in the lowest-energy state of a quasimolecule which is formed in collisions of a bare U nucleus with neutral U and Cm atoms has been calculated. The relatively large values of this probability make such collisions suitable for observing the vacuum decay., Comment: 18 pages, 22 figures, 1 table Minor corrections, results unchanged

Recent experimental progress in cooling, trapping, and quantum logic spectroscopy of highly-charged ions (HCIs) made HCIs accessible for high resolution spectroscopy and precision fundamental studies. Based on these achievements, we explore a possibility to develop optical clocks using transitions between the ground and a low-lying excited state in the Cf$^{15+}$ and Cf$^{17+}$ ions. Using a high-accuracy relativistic method of calculation we predicted the wavelengths of clock transitions, calculated relevant atomic properties, and analyzed a number of systematic effects (such as the electric quadrupole-, micromotion-, and quadratic Zeeman shifts of the clock transitions) that affect the accuracy and stability of the optical clocks. We also calculated magnetic dipole hyperfine-structure constants of the clock states and the blackbody radiation shifts of the clock transitions., Comment: 9 pages, 2 figures

(Quasi)resonance electron-capture processes in non-symmetrical $(Z_{\rm P} \simeq 2Z_{\rm T})$ heavy ion-atom collisions are studied employing a semiclassical atomic Dirac-Fock-Sturm orbital coupled-channel approach within an independent-particle model. %A special attention has been paid to study a role of the relativistic effects. Systematic calculations of the electron-capture cross sections of the target $K$-shell electrons to the $L$ subshells of the projectile have been carried out for the collisions of bare thorium $(Z_{\rm P}=90)$ and zinc $(Z_{\rm P}=30)$ nuclei with hydrogenlike ions $(Z_{\rm T}=36$-$47)$ and $(Z_{\rm T}=12$-$15)$, correspondingly. Strong relativistic effects, crucial for the case of Th$^{90+}$-Ru$^{43+}(1s)$ collisions in the low-energy regime, are found. Various one- and two-electron capture processes occurring in course of the collisions of the two-electron system Th$^{90+}$-Ru$^{42+}(1s^2)$ have been investigated in details in the wide range of collision energies $0.5$-$50$~MeV/u. The impact parameter dependencies of the double electron-capture processes are also presented. Our study demonstrates a very significant role of the relativistic effects for the processes, which becomes crucial in the low-energy regime., Comment: 26 pages, 17 figures

We have developed a broadly-applicable approach that drastically increases the ability to accurately predict properties of complex atoms. We applied it to the case of Ir$^{17+}$, which is of particular interest for the development of novel atomic clocks with high sensitivity to the variation of the fine-structure constant and dark matter searches. The clock transitions are weak and very difficult to identity without accurate theoretical predictions. In the case of Ir$^{17+}$, even stronger electric-dipole (E1) transitions eluded observation despite years of effort raising the possibility that theory predictions are grossly wrong. In this work, we provide accurate predictions of transition wavelengths and E1 transition rates in Ir$^{17+}$. Our results explain the lack of observation of the E1 transitions and provide a pathway towards detection of clock transitions. Computational advances demonstrated in this work are widely applicable to most elements in the periodic table and will allow to solve numerous problems in atomic physics, astrophysics, and plasma physics., Comment: 6 pages, 3 figures

The current status of tests of quantum electrodynamics with heavy ions is reviewed. The theoretical predictions for the Lamb shift and the hyperfine splitting in heavy ions are compared with available experimental data. Recent achievements and future prospects in studies of the $g$ factor with highly charged ions are also reported. These studies can provide precise determination of the fundamental constants and tests of QED within and beyond the Furry picture at the strong-coupling regime. Theoretical calculations of the electron-positron pair creation probabilities in low-energy heavy-ion collisions are also considered. Special attention is paid to tests of QED in supercritical-field regime, which can be accessed in slow collisions of two bare nuclei with the total charge number larger than the critical value, $Z_{\rm crit} \approx 173$. In the supercritical field, the initially neutral vacuum can spontaneously decay into the charged vacuum and two positrons. It is demonstrated that this fundamental phenomenon can be observed via impact-sensitive measurements of the pair-production probabilities., Comment: Presented at International Conference on Precision Physics and Fundamental Physical Constants - FFK2019, 9-14 June, 2019, Tihany, Hungary

We consider single ionization of lithium atom in collisions with $p$ and O$^{8+}$ projectiles. Doubly differential cross sections for ionization are calculated within a relativistic non-perturbative approach. Comparisons with the recent measurements and theoretical predictions are made., Comment: Submitted to the Topical Issue of Eur. Phys. J. D based on the contributions reported on the International Conference on Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces (MPS 2018), Budapest, Hungary, 21-24 August 2018

The present status of tests of QED with highly charged ions is reviewed. The theoretical predictions for the Lamb shift and the transition energies are compared with available experimental data. Recent achievements in studies of the hyperfine splitting and the $g$-factor isotope shift with highly charged ions are reported. Special attention is paid to tests of QED within and beyond the Furry picture at strong-coupling regime. Prospects for tests of QED at supercritical fields that can be created in low-energy heavy-ion collisions are discussed as well., Comment: 8 pages, 1 figure, 3 tables

The probabilities of bound-free electron-positron pair creation are calculated for head-on collisions of bare uranium nuclei beyond the monopole approximation. The calculations are based on the numerical solving of the time-dependent Dirac equation in the target reference frame with multipole expansion of the projectile potential. In addition, the energy dependence of the pair-creation cross section is studied in the monopole approximation., Comment: 11 pages

A new relativistic method based on the Dirac equation for calculating fully differential cross sections for ionization in ion-atom collisions is developed. The method is applied to ionization of the atomic hydrogen by antiproton impact, as a non-relativistic benchmark. The fully differential, as well as various doubly and singly differential cross sections for ionization are presented. The role of the interaction between the projectile and the target nucleus is discussed. Several discrepancies in available theoretical predictions are resolved. The relativistic effects are studied for ionization of hydrogenlike xenon ion under the impact of carbon nuclei., Comment: 27 pages, 12 figures

A new method for calculations of electron-positron pair-creation probabilities in low-energy heavy-ion collisions is developed. The approach is based on the propagation of all one-electron states via the numerical solving of the time-dependent Dirac equation in the monopole approximation. The electron wave functions are represented as finite sums of basis functions constructed from B-splines using the dual-kinetic-balance technique. The calculations of the created particle numbers and the positron energy spectra are performed for the collisions of bare nuclei at the energies near the Coulomb barrier with the Rutherford trajectory and for different values of the nuclear charge and the impact parameter. To examine the role of the spontaneous pair creation the collisions with a modified velocity and with a time delay are also considered. The obtained results are compared with the previous calculations and the possibility of observation of the spontaneous pair creation is discussed., Comment: 16 pages, 6 figures

A new method for solving the time-dependent two-center Dirac equation is developed. The approach is based on the using of the finite basis of cubic Hermite splines on a three-dimensional lattice in the coordinate space. The relativistic calculations of the excitation and charge-transfer probabilities in the U91+(1s)-U92+ collisions in two and three dimensional approaches are performed. The obtained results are compared with our previous calculations employing the Dirac-Sturm basis sets [I.I. Tupitsyn et al., Phys. Rev. A 82, 042701 (2010)]. The role of the negative-energy Dirac spectrum is investigated within the monopole approximation.

The previously developed technique for evaluation of charge-transfer and electron-excitation processes in low-energy heavy-ion collisions [I.I. Tupitsyn et al., Phys. Rev. A 82, 042701(2010)] is extended to collisions of ions with neutral atoms. The method employs the active electron approximation, in which only the active electron participates in the charge transfer and excitation processes while the passive electrons provide the screening DFT potential. The time-dependent Dirac wave function of the active electron is represented as a linear combination of atomic-like Dirac-Fock-Sturm orbitals, localized at the ions (atoms). The screening DFT potential is calculated using the overlapping densities of each ions (atoms), derived from the atomic orbitals of the passive electrons. The atomic orbitals are generated by solving numerically the one-center Dirac-Fock and Dirac-Fock-Sturm equations by means of a finite-difference approach with the potential taken as the sum of the exact reference ion (atom) Dirac-Fock potential and of the Coulomb potential from the other ion within the monopole approximation. The method developed is used to calculate the K-K charge transfer and K-vacancy production probabilties for the Ne$(1s^2 2s^2 2p^6)$ -- F$^{8+}(1s)$ collisions at the F$^{8+}(1s)$ projectile energies 130 keV/u and 230 keV/u. The obtained results are compared with experimental data and other theoretical calculations. The K-K charge transfer and K-vacancy production probabilities are also calculated for the Xe -- Xe$^{53+}(1s)$ collision., Comment: 16 pages, 4 figures

Experts in different accelerator laboratories accumulated wide experience in RFQ designing. Nevertheless new tasks on high-power, high-energy CW linac designing (for example, for ADT applications) were appeared recently. Such accelerators must be practically free of beam losses. This main condition placed more stringent requirements upon beam quality at the input of each linac part. Because RFQ is used as beginning part in above accelerators beam high-quality requirements is related to RFQ primarily. It means that existing experience in RFQ designing must be enriching by new approaches and new methodology, Comment: LINAC'2000 THB11