We study electron loss from a hydrogen-like highly charged ion by the impact of equivelocity electrons and protons and also in collisions with hydrogen and helium. The collision velocity $v$ varies between $v_{min}$ and $v_{max}$, where $v_{min}$ and $v_{max}$ correspond to the energy threshold $\varepsilon_{th}$ for electron loss in collisions with a free electron and to $\approx 5 \, \varepsilon_{th}$, respectively. Our results show that in this range of $v$: i) compared to equivelocity electrons protons are more effective in inducing electron loss (due to a substantially larger volume of the effectively available final-state electron momentum space), ii) the relative (compared to protons) effectiveness of electron projectiles grows with increase in the atomic number of a highly charged ion, iii) a substantial part of the volume of the final-state-electron momentum space, kinematically available in collisions with electrons, is weaker populated in collisions with protons than with electrons, iv) even when the total loss cross sections in collisions with electrons and protons become already equal the spectra of the outgoing electrons still remain quite different in almost the entire volume of the final-state-electron momentum space. The points i) and iii), in particular, mean that in collisions with hydrogen target the contributions to the loss process from the interactions with the nucleus and the electron(s) of the atom would be to a large extent separated in the final-state-electron momentum space.
The influence of nuclear polarization on the bound-electron $g$ factor in heavy hydrogenlike ions is investigated. Numerical calculations are performed for the K- and L-shell electrons taking into account the dominant virtual nuclear excitations. This determines the ultimate limit for tests of QED utilizing measurements of the bound-electron $g$ factor in highly charged ions.
Theoretical calculations of the Lamb shift provide the basis required for the determination of the Rydberg constant from spectroscopic measurements in hydrogen. The recent high-precision determination of the proton charge radius drastically reduced the uncertainty in the hydrogen Lamb shift originating from the proton size. As a result, the dominant theoretical uncertainty now comes from the two- and three-loop QED effects, which calls for further advances in their calculations. We review the present status of theoretical calculations of the Lamb shift in hydrogen and light hydrogen-like ions …
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.
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.
We describe a nonperturbative (in Zalpha) numerical evaluation of the one-photon electron self energy for 3P_{1/2}, 3P_{3/2}, 4P_{1/2} and 4P_{3/2} states in hydrogenlike atomic systems with charge numbers Z=1 to 5. The numerical results are found to be in agreement with known terms in the expansion of the self energy in powers of Zalpha and lead to improved theoretical predictions for the self-energy shift of these states.
Polarization properties of the photons emitted in the two-photon decay of hydrogen-like ions are studied within the framework of the density matrix and second-order perturbation theory. In particular, we derive the polarization correlation function that gives the probability of the (two-photon) coincidence measurement performed by polarization-sensitive detectors. Detailed calculations of this function are performed for the $2s_{1/2} \to 1s_{1/2}$ transition in neutral hydrogen as well as Xe$^{53+}$ and U$^{91+}$ ions. The obtained results allow us to understand the influence of relativistic a…
One- and two-photon transitions in the hydrogen atom are analytically evaluated in the absence and in the presence of an external electric field. The emission probabilities are different for the hydrogen and anti-hydrogen atoms due to the existence of contributions, linear in electric field. The magnitude of these contributions is evaluated within the nonrelativistic limit. The Coulomb Green function method is applied. Different nonrelativistic "forms" for the decay probabilities in combination with different gauge choices are considered. The three-photon E1E1E1 2p-1s transition probability is…
We develop {\it ab initio} relativistic QED theory for elastic electron scattering on hydrogen-like highly charged ions for impact energies where, in addition to direct (Coulomb) scattering, the process can also proceed via formation and consequent Auger decay of autoionizing states of the corresponding helium-like ions. Even so the primary goal of the theory is to treat electron scattering on highly charged ions, a comparison with experiment shows that it can also be applied for relatively light ions covering thus a very broad range of the scattering systems. Using the theory we performed cal…
Comparison of precision frequency measurements to quantum electrodynamics (QED) predictions for Rydberg states of hydrogen-like ions can yield information on values of fundamental constants and test theory. With the results of a calculation of a key QED contribution reported here, the uncertainty in the theory of the energy levels is reduced to a level where such a comparison can yield an improved value of the Rydberg constant.
Two--photon decay of hydrogen--like ions is studied within the framework of second--order perturbation theory, based on relativistic Dirac's equation. Special attention is paid to the effects arising from the summation over the negative--energy (intermediate virtual) states that occurs in such a framework. In order to investigate the role of these states, detailed calculations have been carried out for the $2s_{1/2} - 1s_{1/2}$ and $2p_{1/2} - 1s_{1/2}$ transitions in neutral hydrogen H as well as for hydrogen--like xenon Xe$^{53+}$ and uranium U$^{91+}$ ions. We found that for a correct evalu…
Approximate scaling laws with respect to the nuclear charge are introduced for the time-dependent Dirac equation describing hydrogen-like ions subject to laser fields within the dipole approximation. In particular, scaling relations with respect to the laser wavelengths and peak intensities are discussed. The validity of the scaling relations is investigated for two-, three-, four-, and five-photon ionization of hydrogen-like ions with the nuclear charges ranging from $Z=1$ to $92$ by solving the corresponding time-dependent Dirac equations adopting the properly scaled laser parameters. Good a…
We describe the current status of high-precision ab initio calculations of the spectra of molecular hydrogen ions (H_2^+ and HD^+) and of two experiments for vibrational spectroscopy. The perspectives for a comparison between theory and experiment at a level of 1 ppb are considered.
The two-loop self-energy correction to the ground state Lamb shift is calculated for hydrogen-like ions with the nuclear charge Z=10-30 without any expansion in the binding field of the nucleus. A calculational technique is reported for treatment of Feynman diagrams in the mixed coordinate-momentum representation, which yields significant improvement in numerical accuracy as compared to previous results. An extrapolation of the all-order numerical data towards Z=1 yields a result for the higher-order remainder function for hydrogen. The previously reported disagreement between the all-order an…
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 $\ell$.
We consider excitation of highly charged hydrogen-like ions by the impact of equivelocity electrons and protons. The kinetic energy of the protons is more than three orders of magnitude larger than that of the equivelocity electrons. It is shown, however, that despite this fact, the electrons can be much more effective in inducing excitation at collision velocities (slightly) above the threshold for electron impact excitation. The basic reason for this is the strong distortion of the motion of the electron by the attractive field of the nucleus of the highly charged ion.
We consider higher-order corrections to hyperfine coefficients related to the spin-orbit and spin-spin tensor interactions in hydrogen molecular ions. The $mα^7 \ln(α)$-order radiative correction is derived in the NRQED framework. We present complete numerical calculations, including as well the $mα^6$-order relativistic correction, for the case of H$_2^+$. The theoretical uncertainty is reduced by more than one order of magnitude with respect to the Breit-Pauli level, down to a few ppm. We also compare our results with available rf spectroscopy data.
We review recent experiments on HD$^+$ spectroscopy. The reduced proton-deuteron mass to electron mass ratio, $μ_{pd}/m_e$, is inferred from the comparison of theory and experiment. Theoretical issues related to the calculations of the spin structure, which are currently the main limiting factor of theoretical accuracy, are discussed.
The two-loop self-energy correction to the Lamb shift of hydrogen-like ions is calculated for the $1s$, $2s$, and $2p_{1/2}$ states and nuclear charge numbers $Z = 30$-$100$. The calculation is performed to all orders in the nuclear binding strength parameter $Zα$. As compared to previous calculations of this correction, numerical accuracy is improved by an order of magnitude and the region of the nuclear charges is extended. An analysis of the $Z$-dependence of the obtained results demonstrates their consistency with the known $Zα$-expansion coefficients.
We calculate the DC Stark effect for three molecular hydrogen ions in the non-relativistic approximation. The effect is calculated both in dependence on the rovibrational state and in dependence on the hyperfine state. We discuss special cases and approximations. We also calculate the AC polarisabilities for several rovibrational levels, and therefrom evaluate accurately the black-body radiation shift, including the effects of excited electronic states. The results enable the detailed evaluation of certain systematic shifts of the transitions frequencies for the purpose of ultra-high-precision…
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…
The parity nonconservation effect on the radiative recombination of electrons with heavy hydrogenlike ions is studied. Calculations are performed for the recombination into the $2^1S_0$ state of helium-like thorium and gadolinium, where, due to the near-degeneracy of the opposite-parity $2^1S_0$ and $2^3P_0$ states, the effect is strongly enhanced. Two scenarios for possible experiments are studied. In the first scenario, the electron beam is assumed to be fully polarized while the H-like ions are unpolarized and the polarization of the emitted photons is not detected. In the second scenario, …
Accurate calculations of the nuclear recoil effect to the Lamb shift of hydrogen-like atoms are presented. Numerical results are reported for the $ns$ states with $n \leq 5$ and for the $2p_{1/2}$ and $2p_{3/2}$ states. The calculations are performed to the first order in the electron-nucleus mass ratio and to all orders in the nuclear binding strength parameter $Zα$ (where $Z$ is the nuclear charge number and $α$ is the fine structure constant). The obtained results provide accurate predictions for the higher-order remainder beyond the known $Zα$-expansion terms. In the case of hydrogen, the …
We reconsider the calculation of rovibrational transition frequencies in hydrogen molecular ions. Some previously neglected contributions, such as the deuteron polarizability, are included into consideration in comparison with our previous work. In particular, one-loop and two-loop QED corrections at $mα^7$ and $mα^8$ orders are recalculated in the framework of the adiabatic approximation, with systematic inclusion of corrections associated with vibrational motion. Improved theoretical transitions frequencies are obtained and found to be in very good agreement with recent high-precision spectr…
The angular distribution of the emitted electrons, following the two-photon ionization of the hydrogen-like ions, is studied within the framework of second order perturbation theory and the Dirac equation. Using a density matrix approach, we have investigated the effects which arise from the polarization of the incoming light as well as from the higher multipoles in the expansion of the electron--photon interaction. For medium- and high-Z ions, in particular, the non-dipole contributions give rise to a significant change in the angular distribution of the emitted electrons, if compared with th…
Time-dependent close-coupling calculations of the ionization and excitation cross section for antiproton collisions with molecular hydrogen ions are performed in an impact-energy range from 0.5 keV to 10 MeV. The Born-Oppenheimer and Franck-Condon approximations as well as the impact parameter method are applied in order to describe the target molecule and the collision process. It is shown that three perpendicular orientations of the molecular axis with respect to the trajectory are sufficient to accurately reproduce the ionization cross section calculated by [Sakimoto, Phys. Rev. A 71, 06270…
A rigorous QED theory of the spectral line profiles is applied to transition probabilities in few-electron highly charged ions. Interelectron interaction corrections are included as well as radiative corrections. Parity nonconserving (PNC) amplitudes with effective weak interactions between the electrons and nucleus are also considered. QED and interelectron interaction corrections to the PNC amplitudes are derived.
We identify laser-accessible transitions in group 16-like highly charged ions as candidates for high-accuracy optical clocks, including S-, Se-, and Te-like systems. For this class of ions, the ground $^{3}P_{J}$ fine structure manifold exhibits irregular (nonmonotonic in $J$) energy ordering for large enough ionization degree. We consider the $|^3P_2\rangle \longleftrightarrow |^3P_0\rangle$ (ground to first-excited state) electric quadrupole transition, performing relativistic many-body calculations of several atomic properties important for optical clock development. All ions discussed are …
Expectation values of the Breit operators and the $Q$ terms are calculated for HD$^+$ with the vibrational number $v=0-4$ and the total angular momentum $L=0-4$. Relativistic and radiative corrections to some ro-vibrational transition frequencies are determined. Numerical uncertainty in $R_{\infty}α^2$ order correction is reduced to sub kHz or smaller. Our work provides an independent verification of Korobov's calculations [Phys. Rev. A {\bf74}, 052506 (2006); {\bf77}, 022509 (2008)].
In Penning traps electromagnetic forces are used to confine charged particles under well-controlled conditions for virtually unlimited time. Sensitive detection methods have been developed to allow observation of single stored ions. Various cooling methods can be employed to reduce the energy of the trapped particle to nearly at rest. In this review we summarize how highly charged ions offer unique possibilities for precision measurements in Penning traps. Precision atomic and nuclear masses as well as magnetic moments of bound electrons allow among others to determine fundamental constants li…
The paper presents the current status of the theory of bound-electron g factor in highly charged ions. The calculations of the relativistic, QED, nuclear recoil, nuclear structure, and interelectronic-interaction corrections to the g factor are reviewed. Special attention is paid to tests of QED effects at strong coupling regime and determinations of the fundamental constants.
We have conceived, built and operated a 'half-open' cylindrical Penning trap for the confinement and laser spectroscopy of highly charged ions. This trap allows fluorescence detection employing a solid angle which is about one order of magnitude larger than in conventional cylindrical Penning traps. At the same time, the desired electrostatic and magnetostatic properties of a closed-endcap cylindrical Penning trap are preserved in this congfiuration. We give a detailed account on the design and confinement properties, a characterization of the trap and show first results of light collection wi…
The angular distribution of the emitted electrons, following the two--photon ionization of the hydrogen--like ions, is studied within the framework of second order perturbation theory \textit{and} the Dirac equation. Using a density matrix approach, we have investigated the effects which arise from the polarization of the incoming light as well as from the higher multipoles in the expansion of the electron--photon interaction. For medium-- and high--Z ions, in particular, the non--dipole contributions give rise to a significant change in the angular distribution of the emitted electrons, if co…
We present a theoretical investigation of the radiative recombination of twisted Bessel electrons with initially hydrogen-like (finally helium-like) heavy ions. In our study, we focus especially on the linear polarization of x-ray photons emitted in the electron capture into the ground $1s^2_{1/2}$ ionic state. Particular emphasis is placed on the question of how this polarization is affected if incident hydrogen-like ions are themselves spin-polarized. To explore such a "polarization transfer" we apply the density matrix theory and derive the Stokes parameters of recombination x-rays for the …
We calculate ionization energies and fundamental vibrational transitions for H$_2^+$, D$_2^+$, and HD$^+$ molecular ions. The NRQED expansion for the energy in terms of the fine structure constant $α$ is used. Previous calculations of orders $mα^6$ and $mα^7$ are improved by including second-order contributions due to the vibrational motion of nuclei. Furthermore, we evaluate the largest corrections at the order $mα^8$. That allows to reduce the fractional uncertainty to the level of $7\cdot10^{-12}$ for fundamental transitions and to $4\cdot10^{-12}$ for the ionization energies.
Presented here is a description of the ionization of hydrogen and hydrogenic ions by antiproton-impact, based on very large scale numerical solutions of the time-dependent Schrödinger equation in three spatial dimensions and on analysis of the topology of the electronic eigenenergy surfaces in the plane of complex internuclear distance. Comparison is made with other theories and very recent measurements.
Quantum electrodynamics in very strong Coulomb fields is one scope which has not yet been tested experimentally with suffcient accuracy to really determine whether the perturbative approach is valid. One sensitive test is the determination of the 1s Lamb Shift in highly-charged very heavy ions. The 1s Lamb Shift of hydrogen-like lead (Pb81+) and gold (Au78+) has been determined using the novel detector concept of silicon microcalorimeters for the detection of hard X-rays. The results of (260 +- 22) eV for lead and (208 +- 13) eV for gold are within error bars in good agreement with theoretical…
We discuss a parity nonconserving (PNC) asymmetry in the cross section of dielectronic recombination of polarized electrons on multiply charged ions with Z>40. This effect is strongly enhanced for close doubly-excited states of opposite parity in the intermediate compound ion. Such states are known for He-like ions. However, these levels have large energy and large radiative widths which hampers observation of the PNC asymmetry. We argue that accidentally degenerate states of the more complex ions may be more suitable for the corresponding experiment.
We review a number of highly charged ions which have optical transitions suitable for building extremely accurate atomic clocks. This includes ions from Hf$^{12+}$ to U$^{34+}$, which have the $4f^{12}$ configuration of valence electrons, the Ir$^{17+}$ ion, which has a hole in almost filled $4f$ subshell, the Ho$^{14+}$, Cf$^{15+}$, Es$^{17+}$ and Es$^{16+}$ ions. Clock transitions in most of these ions are sensitive to variation of the fine structure constant, $α$ ($α= e^2/\hbar c$). E.g., californium and einsteinium ions have largest known sensitivity to $α$-variation while holmium ion look…
The total two-photon decay rate of hydrogen-like ions is studied using relativistic quantum electrodynamics. In particular, we analyse how finite nuclear size and QED vacuum polarization corrections affect the decay rate. To calculate these corrections, a finite basis set method based on $B$-splines is used for the generation of quasi-complete atomic spectra and, hence, of the relativistic Green's function. By making use of this $B$-spline approach, high precision calculations have been performed for the $2s_{1/2} \to 1s_{1/2} + 2γ$ and $2p_{1/2} \to 1s_{1/2} + 2γ$ decay of hydrogen-like ions …
We propose a novel type of precision laser spectrometer for trapped, highly charged ions nearly at rest. It consists of a cylindrical open-endcap Penning trap in which an externally produced bunch of highly charged ions can be confined and investigated by means of laser spectroscopy. The combination of confinement, cooling and compression of a dense ion cloud will allow the ground state hyperfine splitting in highly charged ions to be measured with an accuracy three orders of magnitude better than in any previous experiment. A systematic study of different charge states and different isotopes …
We have extended the classical over-barrier model to simulate the neutralization dynamics of highly charged ions interacting under grazing incidence with conducting and insulating surfaces. Our calculations are based on simple model rates for resonant and Auger transitions. We include effects caused by the dielectric response of the target and, for insulators, localized surface charges. Characteristic deviations regarding the charge transfer processes from conducting and insulating targets to the ion are discussed. We find good agreement with previously published experimental data for the imag…
We investigate black-body induced energy shifts for low-lying levels of atomic systems, with a special emphasis on transitions used in current and planned high-precision experiments on atomic hydrogen and ionized helium. Fine-structure and Lamb-shift induced black-body shifts are found to increase with the square of the nuclear charge number, whereas black-body shifts due to virtual transitions decrease with increasing nuclear charge as the fourth power of the nuclear charge. We also investigate the decay width acquired by the ground state of atomic hydrogen, due to interaction with black-body…
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.
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.
The electron beam ion trap (EBIT) at the National Institute of Standards and Technology was used to produce highly-charged ions of hafnium, tantalum and gold with an open 3d shell. The extreme-ultraviolet (EUV) spectra from these ions were recorded with a flat-field grazing-incidence spectrometer in the wavelength range of 4.5 nm to 25 nm. A total of 133 new spectral lines, primarily due to magnetic-dipole transitions within the ground-state $3d^n$ configurations of the Co-like to K-like ions, were identified by comparing energy-dependent experimental spectra with a detailed collisional-radiat…
Today, the 'hydrogen atom model' is known to play its role not only in teaching the basic elements of quantum mechanics but also for building up effective theories in atomic and molecular physics, quantum optics, plasma physics, or even in the design of semiconductor devices. Therefore, the analytical as well as numerical solutions of the hydrogen--like ions are frequently required both, for analyzing experimental data and for carrying out quite advanced theoretical studies. In order to support a fast and consistent access to these (Coulomb--field) solutions, here we present the Dirac program …
We recently used a compact Penning trap to capture and isolate highly-charged ions extracted from an electron beam ion trap (EBIT) at the National Institute of Standards and Technology (NIST). Isolated charge states of highly-stripped argon and neon ions with total charge $Q \geq 10$, extracted at energies of up to $4\times 10^3\,Q$ eV, are captured in a trap with well depths of $\,\approx (4\, {\rm to}\, 12)\,Q$ eV. Here we discuss in detail the process to optimize velocity-tuning, capture, and storage of highly-charged ions in a unitary Penning trap designed to provide easy radial access for…
The two-photon decay in hydrogen-like ions is investigated within the framework of second order perturbation theory and Dirac's relativistic equation. Special attention is paid to the angular correlation of the emitted photons as well as to the degree of linear polarization of one of the two photons, if the second is just observed under given angles. Expressions for the angular correlation and the degree of linear polarization are expanded in terms of $\cosθ$-polynomials, whose coefficients depend on the atomic number and the energy sharing of the emitted photons. The effects of including high…
Photoabsorption by and fluorescence of the Kα transitions in highly charged iron ions are essential mechanisms for X-ray radiation transfer in astrophysical environments. We study photoabsorption due to the main Kα transitions in highly charged iron ions from heliumlike to fluorinelike (Fe 24+...17+) using monochromatic X-rays around 6.6 keV at the PETRA III synchrotron photon source. Natural linewidths were determined with hitherto unattained accuracy. The observed transitions are of particular interest for the understanding of photoexcited plasmas found in X-ray binaries and active galactic …
The nuclear recoil effect on the g factor of highly charged Li-like ions is evaluated in the range Z=10-92. The calculations are performed using the 1/Z perturbation theory. The one-electron recoil contribution is evaluated within the fully relativistic approach with the wave functions which account for the screening effects approximately. The two-electron recoil contributions of the first and higher orders in 1/Z are calculated within the Breit approximation using a four-component approach.
Bound state properties of the four-electron lithium ion Li$^{-}$ in its ground $2^{2}S-$state and isotope-subsistuted ${}^{6}$Li$^{-}$ and ${}^{7}$Li$^{-}$ ions in their ground $2^1S-$state(s) are determined from the results of accurate, variational computations. Another closely related problem discussed in this study is accurate numerical evaluation of the half-life of the beryllium-7 isotope. This problem is of paramount importance for modern radiochemistry.
A cryogenic radio-frequency ion trap system designed for quantum logic spectroscopy of highly charged ions is presented. It includes a segmented linear Paul trap, an in-vacuum imaging lens and a helical resonator. We demonstrate ground state cooling of all three modes of motion of a single $^9$Be$^+$ ion and determine their heating rates as well as excess axial micromotion. The trap shows one of the lowest levels of electric field noise published to date. We investigate the magnetic-field noise suppression in cryogenic shields made from segmented copper, the resulting magnetic field stability …
