arXiv subjects
Publications and source records attributed to V. M. Shabaev.
The relativistic energies and widths of hydrogen-like ions exposed to the uniform electric field are calculated. The calculations are performed for the ground and lowest excited states using the complex scaling technique in combination with a finite-basis method. The obtained results are compared with the non-relativistic values. The role of relativistic effects is investigated.
The binding-energy differences for $^{163}\mathrm{Ho}^{q+}$ and $^{163}\mathrm{Dy}^{q+}$ ions with ionization degrees $q = 38$, $39$, and $40$ are calculated. The calculations are performed using the large-scale relativistic configuration-interaction and relativistic coupled-clusters methods. The contributions from quantum-electrodynamics, nuclear-recoil, and frequency-dependent Breit-interaction effects are taken into account. The final uncertainty does not exceed $1$ eV. Combining the obtained results with the binding-energy difference for neutral atoms calculated in [Savelyev et al., Phys. Rev. A 105, 012806 (2022)], we get the secondary differences of the ion-atom binding energies. These values can be used to evaluate the amount of energy released in the electron capture process in $^{163}\mathrm{Ho}$ atom (the $Q$ value), provided mass differences of highly charged ions $^{163}\mathrm{Ho}^{q+}$ and $^{163}\mathrm{Dy}^{q+}$ is known from experiment. The $Q$ value is required by experiments on the determination of the absolute scale of the electron neutrino mass by studying the beta-decay process.
The bound-state QED approach is applied to calculations of the $2p_{3/2} \rightarrow 2s$ transition energies in He-, Li-, and Be-like uranium. For U$^{90+}$ and U$^{89+}$, standard perturbation theory for a single level is employed, while the calculations of U$^{88+}$ have required its counterpart for quasidegenerate levels. The utilized approach merges the rigorous QED treatment up to the second order of perturbation theory with the higher-order electron-correlation contributions evaluated within the Breit approximation. The higher-order screened QED effects are estimated by means of the model-QED operator. The nuclear recoil, nuclear polarization, and nuclear deformation effects are taken into account as well. Along with the transition energies, their pairwise differences are calculated. The comprehensive analysis of the uncertainties due to uncalculated effects is carried out, and the most accurate theoretical predictions, which are in perfect agreement with available experimental data, are obtained.
In the present study, we consider the effects of vacuum birefringence and dichroism in strong electromagnetic fields. According to quantum electrodynamics, the vacuum state exhibits different refractive properties depending on the probe photon polarization and one also obtains different probabilities of the photon decay via production of electron-positron pairs. Here we investigate these two phenomena by means of several different approaches to computing the polarization operator. The external field is assumed to be a linearly polarized plane electromagnetic wave of arbitrary amplitude and frequency. Varying the probe-photon energy and the field parameters, we thoroughly examine the validity of the locally-constant field approximation (LCFA) and techniques involving perturbative expansions in terms of the external-field amplitude. Within the latter approach, we develop a numerical method based on a direct evaluation of the weak-field Feynman diagrams, which can be employed for investigating more complex external backgrounds. It is demonstrated that the polarization operator depends on two parameters: classical nonlinearity parameter $ξ$ and the product $η= ωq_0 / m^2$ of the laser field frequency $ω$ and the photon energy $q_0$ ($m$ is the electron mass). The domains of validity of the approximate techniques in the $ξη$ plane are explicitly identified.
For heliumlike uranium, the energies of the singly-excited $1sns$, $1snp$, and $1snd$ states with $n\leq 4$ and the probabilities of the one-photon $1s3d\to 1s2p$, $1s3p\to 1s2s$, $1s3p\to 1s2p$ and $1s4d\to 1s2p$ transitions are evaluated. The calculations are performed within the Breit approximation using the configuration-interaction method in the basis of the Dirac-Fock-Sturm orbitals. The QED corrections to the energy levels are calculated employing the model-QED-operator approach. The nuclear recoil, frequency-dependent Breit-interaction, nuclear polarization, and nuclear deformation corrections are taken into account as well.
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 which can be directly employed in calculations. The capabilities of the method are probed by comparison of its predictions with the results of ab initio QED calculations. The proposed operator can be easily incorporated into any relativistic calculation based on the Dirac-Coulomb-Breit Hamiltonian.
For superheavy elements with atomic numbers $120\leq Z \leq 170$, the concept of the ground-state configuration is being reexamined. To this end, relativistic calculations of the electronic structure of the low-lying levels are carried out by means of the Dirac-Fock and configuration-interaction methods.The magnetic and retardation parts of the Breit interaction as well as the QED effects are taken into account. The influence of the relativistic, QED, and electron-electron correlation effects on the determination of the ground-state is analyzed.
We investigate the possibility to calculate the ground-state energy of the atomic systems on a quantum computer. For this purpose we evaluate the lowest binding energy of the moscovium atom with the use of the iterative phase estimation and variational quantum eigensolver. The calculations by the variational quantum eigensolver are performed with a disentangled unitary coupled cluster ansatz and with various types of hardware-efficient ansatze. The optimization is performed with the use of the Adam and Quantum Natural Gradients procedures. The scalability of the ansatze and optimizers is tested by increasing the size of the basis set and the number of active electrons. The number of gates required for the iterative phase estimation and variational quantum eigensolver is also estimated.
Ab initio method based on a complex-scaling approach and aimed at a rigorous QED description of autoionizing states is worked out. The autoionizing-state binding energies are treated nonperturbatively in $αZ$ and include all the many-electron QED contributions up to the second order. The higher-order electron correlation, nuclear recoil, and nuclear polarization effects are taken into account as well. The developed formalism is demonstrated on the $LL$ resonances in heliumlike argon and uranium. The most accurate theoretical predictions for the binding energies are obtained.
The model-QED-operator approach [Phys. Rev. A 88, 012513 (2013)] to calculations of the radiative corrections to binding and transition energies in atomic systems is extended to the range of nuclear charges $110 \leqslant Z \leqslant 170$. The self-energy part of the model operator is represented by a nonlocal potential based on diagonal and off-diagonal matrix elements of the ab initio self-energy operator with the Dirac-Coulomb wave functions. The vacuum-polarization part consists of the Uehling contribution which is readily computed for an arbitrary nuclear-charge distribution and the Wichmann-Kroll contribution represented in terms of matrix elements similarly to the self-energy part. Performance of the method is studied by comparing the model-QED-operator predictions with the results of ab initio calculations. The model-QED operator can be conveniently incorporated in any numerical approach based on the Dirac-Coulomb-Breit Hamiltonian to account for the QED effects in a wide variety of superheavy elements.
A method is proposed to determine the $M1$ nuclear transition amplitude and hence the lifetime of the "nuclear clock transition" between the low-lying ($\sim 8$ eV) first isomeric state and the ground state of $^{229}$Th from a measurement of the ground-state $g$ factor of few-electron $^{229}$Th ions. As a tool, the effect of nuclear hyperfine mixing (NHM) in highly charged $^{229}$Th-ions such as $^{229}$Th$^{89+}$ or $^{229}$Th$^{87+}$ is utilized. The ground-state-only $g$-factor measurement would also provide first experimental evidence of NHM in atomic ions. Combining the measurements for H-, Li-, and B-like $^{229}$Th ions has a potential to improve the initial result for a single charge state and to determine the nuclear magnetic moment to a higher accuracy than that of the currently accepted value. The calculations include relativistic, interelectronic-interaction, QED, and nuclear effects.
The two-photon annihilation of a positron with an electron bound in the 1s state of a H-like ion is calculated within the fully relativistic QED framework. The interaction with the nucleus is treated nonperturbatively, thus allowing the calculations to be carried out for the annihilation with strongly-bound inner shells of heavy ions. Infrared divergences, appearing when one of the emitted photons approaches the low-frequency limit, are accurately eliminated from final expressions. The total cross section of the two-photon and one-photon annihilation processes are compared for a wide range of collision energies and nuclear charge numbers. It is demonstrated that the two-photon annihilation channel dominates over the one-photon channel for the low and medium-Z ions, whereas for the high-Z ions the situation reverses.
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.
According to quantum electrodynamics (QED), a strong external field can make the vacuum state decay producing electron-positron pairs. Here we investigate emission of soft photons which accompanies a nonperturbative process of pair production. Our analysis is carried out within the Furry picture to first order in the fine-structure constant. It is shown that the presence of photons in the initial state gives rise to an additional (stimulated) channel of photon emission besides the pure vacuum one. On the other hand, the number of final (signal) photons includes also a negative contribution due to photon absorption within the pair production process. These contributions are evaluated and compared. To obtain quantitative predictions in the domain of realistic field parameters, we employ the WKB approach. We propose to use an optical probe photon beam, whose intensity changes as it traverses a spatial region where a strong electric component of a background laser field is present. It is demonstrated that relative intensity changes on the level of $1 \%$ can be experimentally observed once the intensity of the strong background field exceeds $10^{27}~\text{W/cm}^2$ within a large laser wavelength interval. This finding is expected to significantly support possible experimental investigations of nonlinear QED phenomena in the nonperturbative regime.
A fully relativistic approach is presented for the calculation of the bremsstrahlung emitted by an electron scattered off an ionic target. The ionic target is described as a combination of an effective Coulomb potential and a finite-range potential induced by the electronic cloud of the ion. The approach allows us to investigate the influence of the electronic structure of the target on the properties of the emitted radiation. We calculate the double differential cross-section and Stokes parameters of the bremsstrahlung of an electron scattered off uranium ions in different charge states, ranging from bare to neutral uranium. Results on the high-energy endpoint of the electron bremsstrahlung from Li-like uranium ions ${\rm U}^{89+}$ are compared to the recent experimental data. For this process, it is found that taking into account the electronic structure of the target results in modification of the cross-section on the level of 14%, which can, in principle, be seen in present-day experiments.
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.
The nuclear magnetic shielding is considered within the fully relativistic approach for the ground state of H-, Li-, and B-like ions in the range Z=32-92. The interelectronic interaction is evaluated to the first order of the perturbation theory in Li- and B-like ions. The calculations are based on the finite-field method. The numerical solution of the Dirac equation with the magnetic-field and hyperfine interactions included within the dual-kinetic-balance method is employed. The nuclear magnetic shielding constant is an important ingredient for accurate determination of the nuclear magnetic moments from the high-precision g-factor measurements.
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.