arXiv subjects

I. I. Tupitsyn

Publications and source records attributed to I. I. Tupitsyn.

At least 37 records · Page 2Linked to original sources

arXiv2022

Ionization potentials and electron affinities of Rg, Cn, Nh, and Fl superheavy elements

The successive ionization potentials (IPs) and electron affinities (EAs) for superheavy elements with $111 \leq Z \leq 114$, namely, Rg, Cn, Nh, and Fl are reexamined using the relativistic Fock-space coupled-cluster method with nonperturbative single (S), double (D), and triple (T) cluster amplitudes (FS-CCSDT). For the most of considered quantities, the triple-amplitude contributions turn out to be important. The Breit and frequency-dependent Breit corrections are evaluated by means of the configuration-interaction method. The quantum-electrodynamics corrections to the IPs and EAs are taken into account within the model-QED-operator approach. The obtained results are within 0.10 eV uncertainty.

physics.atom-ph↗

arXiv2022

Combination of the Perturbation Theory with Configuration Interaction Method

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.

physics.atom-ph↗

arXiv2022

Single and double $K$-shell vacancy production in slow Xe$^\textrm{54+,53+}$-Xe collisions

We present an experimental and theoretical study of symmetric $\textrm{Xe}^{54+}+\textrm{Xe}$ collisions at 50, 30, and 15 MeV/u, corresponding to strong perturbations with $v_K/v_\text{p}$ = 1.20, 1.55, and 2.20, respectively ($v_K$: classical $K$-shell orbital velocity, $v_\text{p}$: projectile velocity), as well as $\textrm{Xe}^{53+}+\textrm{Xe}$ collisions at 15 MeV/u. For each of these systems, x-ray spectra were measured under a forward angle of $35^\circ$ with respect to the projectile beam. Target satellite and hypersatellite radiation, $Kα_{2,1}^\mathrm{s}$ and $Kα_{2,1}^\mathrm{hs}$, respectively, were analyzed and used to derive cross section ratios for double-to-single target $K$-shell vacancy production. We compare our experimental results to relativistic time-dependent two-center calculations.

physics.atom-ph↗

arXiv2021

Laser Spectroscopy of the y$^7$P$_J^{\circ}$ states of Cr I

Here we report measured and calculated values of decay rates of the 3d$^4$($^5$D)4s4p($^3$P$^{\rm{o}}$)\ y$^7$P$^{\rm{o}}_{2,3,4}$ states of Cr I. The decay rates are measured using time-correlated single photon counting with roughly 1% total uncertainty. In addition, the isotope shifts for these transitions are measured by laser induced fluorescence to roughly 0.5% uncertainty. The decay rate calculations are carried out by a hybrid approach that combines configuration interaction and the linearized coupled cluster method (CI+all-order method). The measurements provide a much needed precision benchmark for testing the accuracy of the CI+all-order approach for such complicated systems with six valence electrons, allowing to significantly expand its applicability. These measurements also demonstrate operation of a cryogenic buffer gas beam source for future experiments with MgF molecules toward quantum blackbody thermometry.

physics.atom-ph↗

arXiv2021

Multiple-ionization energy difference of 163Ho and 163Dy atoms

The multiple-ionization energy difference of 163Ho and 163Dy atoms is evaluated for the ionization degree q = 30, 48, 56. The calculations are performed by means of the large-scale relativistic configuration interaction method combined with the many-body perturbation theory. The quantum electrodynamics, nuclear recoil, and frequency-dependent Breit interaction corrections are taken into account. The obtained theoretical values are within 1 eV uncertainty. These results can help to increase accuracy of the laboratory neutrino mass limit, provided they are accompanied by the corresponding experiment on electron capture in Ho and a precise measurement of the ion mass difference.

physics.atom-ph↗

arXiv2021

Electron affinity of oganesson

The electron affinity (EA) of superheavy element Og is calculated by the use of the relativistic Fock-space coupled cluster (FSCC) and configuration interaction methods. The FSCC cluster operator expansion included single, double, and triple excitations treated in a non-perturbative manner. The Gaunt and retardation electron-electron interactions are taken into account. Both methods yield the results that are in agreement with each other. The quantum electrodynamics correction to EA is evaluated using the model Lamb-shift operator approach. The electron affinity of Og is obtained to be 0.076(4) eV.

physics.atom-ph↗

arXiv2021

Relativistic calculations of the chemical properties of the superheavy element with $Z=119$ and its homologues

Relativistic calculations of the electronic structure of the superheavy element of the eighth period $-$ eka-francium ($Z=119$) and its homologues, which form the group of alkali metals, are performed in the framework of the configuration-interaction method and many-body perturbation theory using the basis of the Dirac-Fock-Sturm orbitals (DFS). The obtained values of the ionization potentials, electron affinities, and root-mean-square radii are compared with the corresponding values calculated within the non-relativistic approximation. A comparison with the available experimental data and the results of previous theoretical calculations is given as well. The analysis of the obtained results indicates a significant influence of the relativistic effects for the francium and eka-francium atoms, which leads to a violation of the monotonic behaviour of the listed above chemical properties as a function of the alkaline-element atomic number. In addition, the quantum electrodynamics corrections to the ionization potentials are evaluated by employing the model Lamb-shift operator (QEDMOD).

physics.atom-ph↗

arXiv2021

Ab initio calculations of energy levels in Be-like xenon: strong interference between electron-correlation and QED effects

The strong mixing of close levels with two valence electrons in Be-like xenon greatly complicates ab initio QED calculations beyond the first-order approximation. Due to a strong interplay between the electron-electron correlation and QED effects, the standard single-level perturbative QED approach may fail, even if it takes into account the second-order screened QED diagrams. In the present Letter, the corresponding obstacles are overcome by working out the QED perturbation theory for quasidegenerate states. The contributions of all the Feynman diagrams up to the second order are taken into account. The many-electron QED effects are rigorously evaluated in the framework of the extended Furry picture to all orders in the nuclear-strength parameter $αZ$. The higher-order electron-correlation effects are considered within the Breit approximation. The nuclear recoil effect is accounted for as well. The developed approach is applied to high-precision QED calculations of the ground and singly excited energy levels in Be-like xenon. The most accurate theoretical predictions for the binding and excitation energies are obtained. These results deviate from the most precise experimental value by $3σ$ but perfectly agree with a more recent measurement.

physics.atom-ph↗

arXiv2020

How to access QED at supercritical Coulomb field

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.

hep-ph↗

arXiv2020

QED corrections to the $g$ factor of Li- and B-like ions

QED corrections to the $g$ factor of Li-like and B-like ions in a wide range of nuclear charges are presented. Many-electron contributions as well as radiative effects on the one-loop level are calculated. Contributions resulting from the interelectronic interaction, the self-energy effect, and most of the terms of the vacuum-polarization effect are evaluated to all orders in the nuclear coupling strength $Zα$. Uncertainties resulting from nuclear size effects, numerical computations, and uncalculated effects are discussed.

physics.atom-ph↗

arXiv2020

Optical clocks based on the Cf$^{15+}$ and Cf$^{17+}$ ions

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.

physics.atom-ph↗

arXiv2020

Strong relativistic effect on (quasi)resonance electron-capture processes in non-symmetrical heavy ion-atom collisions

(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.

physics.atom-ph↗

arXiv2020

QED corrections to the $^2P_{1/2}-{}^2P_{3/2}$ fine structure in fluorinelike ions: model Lamb shift operator approach

In [Li ${\it et \, al.}$, Phys. Rev. A ${\bf 98}$, 020502(R) (2018)] it was claimed that the model-potential computations of the Lamb shift on the $^2P_{1/2}-{}^2P_{3/2}$ fine structure in fluorinelike uranium lead to a discrepancy between theory and experiment. Later, it was reported by [Volotka ${\it et \, al.}$, Phys. Rev. A ${\bf 100}$, 010502(R) (2019)] that {\it ab initio} QED calculation, including the first-order one-electron QED contributions and the related effects of two-electron screening, yields the result which restores the agreement between theory and experiment and strongly disagrees with the model-potential Lamb shift values. In the present paper, the model Lamb shift operator [Shabaev ${\it et \, al.}$, Phys. Rev. A ${\bf 88}$, 012513 (2013)] is used to evaluate the QED effects on the $^2P_{1/2}-{}^2P_{3/2}$ fine structure in F-like ions. The calculations are performed by incorporating this operator into the Dirac-Coulomb-Breit equation employing different methods. It is demonstrated that the methods, based on including the Lamb shift operator either into the Dirac-Fock equations or into the calculations by perturbation theory, lead to the theoretical results which are in good agreement with each other and with experiment. The restriction of these results to the first order in the QED effects leads to a value which agrees with the aforementioned ${\it ab\, initio}$ QED result.

physics.atom-ph↗

arXiv2019

Accurate prediction of clock transitions in a highly charged ion with complex electronic structure

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.

physics.atom-ph↗

arXiv2019

Relativistic calculation of the nuclear recoil effect on the $g$ factor of the $^2P_{3/2}$ state in highly charged B-like ions

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 account by incorporating the screening potential into the zeroth-order Hamiltonian. The most accurate to date theoretical predictions for the nuclear recoil contribution to the bound-electron $g$ factor are obtained.

physics.atom-ph↗

arXiv2019

Interelectronic-interaction contribution to the nuclear recoil effect on the $g$ factor of boronlike ions

The nuclear recoil effect on the ground-state $g$ factor of highly charged boronlike ions is considered within the relativistic framework. The interelectronic-interaction contribution is evaluated within the Breit approximation employing two independent approaches: the second-order perturbation theory and the configuration-interaction Dirac-Fock-Sturm method. The uncertainty of the nuclear recoil $g$-factor contributions is significantly reduced, especially for low- and middle-$Z$ ions.

physics.atom-ph↗

arXiv2019

QED with heavy ions: on the way from strong to supercritical fields

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.

physics.atom-ph↗

arXiv2019

Complex scaled relativistic configuration-interaction study of the $LL$ resonances in helium-like ions: from Boron to Argon

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.

physics.atom-ph↗