Energies of (3s2 3p6 3d9 4l4l'), (3s2 3p5 3d10 4l4l'), and (3s 3p6 3d10 4l4l') states for Cu-like ions with Z = 30 -100 are evaluated to second order in relativistic many-body perturbation theory (RMBPT) starting from a Ni-like Dirac-Fock potential. Second-order Coulomb and Breit-Coulomb interactions are included. Correction for the frequency-dependence of the Breit interaction is taken into account in lowest order. The Lamb shift correction to energies is also included in lowest order. Intrinsic particle-particle-hole contributions to energies are found to be 20-30% of the sum of one- and two-body contributions. Transition rates and line strengths are calculated for the 3l-4l' electric-dipole (E1) transitions in Cu-like ions with nuclear charge Z = 30 - 100. RMBPT including the Breit interaction is used to evaluate retarded E1 matrix elements in length and velocity forms. First-order RMBPT is used to obtain intermediate coupling coefficients and second-order RMBPT is used to calculate transition matrix elements. A detailed discussion of the various contributions to the dipole matrix elements and energy levels is given for copperlike tungsten (Z = 74). The transition energies used in the calculation of oscillator strengths and transition rates are from second-order RMBPT. Trends of the transition rates as functions of $Z$ are illustrated graphically for selected transitions. Comparisons are made with available experimental data. These atomic data are important in modeling of M-shell radiation spectra of heavy ions generated in electron beam ion trap experiments and in M-shell diagnostics of plasmas.
Complete vacuum polarization calculations incorporating finite nuclear size are presented for hydrogenic ions with principal quantum numbers n=1-5. Lithiumlike, sodiumlike, and copperlike ions are also treated starting with Kohn-Sham potentials, and including first-order screening corrections. In both cases dominant Uehling terms are calculated with high accuracy, and smaller Wichmann- Kroll terms are obtained using numerical electron Green's functions.
Large-scale relativistic configuration-interaction calculation of energy levels of core-excited states of lithium-like ions is presented. Quantum electrodynamic, nuclear recoil, and frequency-dependent Breit corrections are included in the calculation. The approach is consistently applied for calculating all $n=2$ core-excited states for all lithium-like ions starting from argon ($Z = 18$) and ending with krypton ($Z = 36$). The results obtained are supplemented with systematical estimations of calculation errors and omitted effects.
Large-scale relativistic configuration-interaction method combined with many-body perturbation theory is consistently applied to calculations of the energy levels of the ground and inner-L-shell excited states of berylliumlike ions in the range $10 \leq Z \leq 92$. The quantum electrodynamics, nuclear recoil, and frequency-dependent Breit corrections are taken into account. The obtained results are supplemented with the systematical estimation of the uncertainties.
The recombination of a free electron into a bound state of bare, heavy nucleus under simultaneous production of bound-electron--free-positron pair is studied within the framework of relativistic first--order perturbation theory. This process, denoted as "negative-continuum dielectronic recombination" leads to a formation of not only the ground but also the singly- and doubly-excited states of the residual helium-like ion. The contributions from such an excited--state capture to the total as well as angle-differential cross-sections are studied in detail. Calculations are performed for the reco…
Recent advance in calculations of energy levels of the 1s2$l$2$l^{\prime}$ core-excited states for ions along the Li isoelectronic sequence from carbon to uranium suggested that theoretical predictions for the 1s2$l$2$l^{\prime}$ transitions are significantly more precise than most of the experimental results available today and can thus be used for calibrating measured X-ray spectra. This suggestion is verified in the present work by comparison with benchmark experimental results. We present a critical compilation of all available experimental data on the energy levels of the 1s2$l$2$l^{\prim…
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.
A detailed analysis on the effect of spherical impenetrable confinement on the structural properties of two-electron ions in S-states have been done. The energy values of 1sns [n = 2-4] (3Se) states of helium-like ions (Z = 2-5) are estimated within the framework of Ritz variational method by using explicitly correlated Hylleraas-type basis sets. The correlated wave functions used here are consistent with the finite boundary conditions due to spherical confinement. A comparative study between the singlet and triplet states originating from a particular electronic configuration shows incidental…
Energy levels and fine-structure intervals of the $1s2l2l'$ core-excited states are calculated for ions along the Li isoelectronic sequence from argon to uranium. The calculation is performed by the relativistic configuration-interaction method adapted for treatment of autoionizing core-excited states. The calculational approach includes the relativistic treatment of the nuclear recoil effect, the leading QED shifts as delivered by the model QED operator, and the frequency dependence of the Breit interaction. The $1s2l2l'-1s^22l$ transition energies are obtained by combining the present result…
It is shown that one can stimulate, by using the present-day laboratory magnetic fields, transitions between the $lm$ sub-levels of fast $μHe^+$ ions formating in muon catalyzed fusion. Strong fields also cause the self-ionization from highly excited states of such muonic ions. Both effects are the consequence of the interaction of the bound muon with the oscillating field of the Stark term coupling the center-of-mass and muon motions of the $μHe^+$ ion due to the non-separability of the collective and internal variables in this system. The performed calculations show a possibility to drive th…
$g$ factor of the $2p_j$ excited states in lithium-like ions
St. Petersburg State University（圣彼得堡国立大学）；ITMO University（伊托莫大学）；Petersburg Nuclear Physics Institute named by B. P. Konstantinov of National Research Centre “Kurchatov Institute”（库尔恰托夫国家研究中心鲍·波·康斯坦丁诺夫彼得堡核物理研究所）
Energies of (2s2 2p5 3l3l') and (2s 2p6 3l3l') states for sodiumlike ions with Z =14--100 are evaluated to second order in relativistic many-body perturbation theory starting from a neonlike Dirac-Fock potential. Second-order Coulomb and Breit interactions are included. Correction for the frequency-dependence of the Breit interaction is taken into account in lowest order. The Lamb shift correction to energies is also included in lowest order. Intrinsic particle-particle-hole contributions to energies are found to be 20-30% of the sum of one- and two-body contributions. Comparisons are made wit…
Rates and line strengths are calculated for the 2s22p53l3l' - 2s22p63l'' and 2s2p63l3l' - 2s22p63l'' electric-dipole (E1) transitions in Na-like ions with nuclear charges ranging from Z = 14 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s22s22p6 Dirac-Fock potential. First-order RMBPT is used to obtain intermediate coupling coefficients and second-order RMBPT is used to calculate transition matrix elements. A detailed discussion of the vari…
Charge exchange collisions between ultracold fermionic 6Li atoms and 40Ca+ ions are observed in the mK temperature range. The reaction product of the charge exchange collision is identified via mass spectrometry during which the motion of the ions is excited parametrically. The cross-sections of the charge exchange collisions between 6Li atoms in the ground state and 40Ca+ ions in the ground and metastable excited states are determined. Investigation of the inelastic collision characteristics in the atom-ion mixture is an important step toward ultracold chemistry based on ultracold atoms and i…
A relativistic many-body method is developed to calculate energy and transition rates for multipole transitions in many-electron ions. This method is based on relativistic many-body perturbation theory (RMBPT), agrees with MCDF calculations in lowest-order, includes all second-order correlation corrections and includes corrections from negative energy states. Reduced matrix elements, oscillator strengths, and transition rates are calculated for electric-multipole (dipole (E1), quadrupole (E2), and octupole (E3)) and magnetic-multipole (dipole (M1), quadrupole (M2), and octupole (M3)) transitio…
In a joint experimental and theoretical endeavour, photoionization of metastable C4+(1s 2s 3S1) ions via intermediate levels with hollow, double-K-vacancy configurations 2s2p, 2s3p, 2p3s, 2p3d, 2s4p, 2p4s and 2p4d has been investigated. High-resolution photon-ion merged-beams measurements were carried out with the resolving power reaching up to 25,000 which is sufficient to separate the leading fine-structure components of the 2s2p 3P term. Many-body perturbation theory was employed to determine level-to-level cross sections for K-shell excitation with subsequent autoionization. The resonance …
A critical review on excited states of negative ions has been given recently by Buckman and Clark (1994), in a major update of the review by Schulz (1973). However, for completeness we include a summary of some known (mainly low lying) excited states. We include a brief discussion and indicate some problematic points with additional references. The observation of resonances in gas phase atomic collisions is discussed in this context. Finally we mention some very nice new results concerning the observation of these resonant states in particle surface interactions and briefly discuss the role th…
We present systematic calculations of energy levels of the $1s^22l$ and $1s2l2l'$ states of ions along the lithium isoelectronic sequence from carbon till chlorine. The calculations are performed by using the relativistic-configuration-interaction method adapted to the treatment of autoionizing core-excited states. The relativistic energies are supplemented with the QED energy shifts calculated within the model QED operator approach. A systematic estimation of the theoretical uncertainties is performed for every electronic state and every nuclear charge. The results are in agreement with exist…
We present a method for generating cold neutral atoms via charge exchange reactions between trapped ions and Rydberg positronium. The high charge exchange reaction cross section leads to efficient neutralisation of the ions and since the positronium-ion mass ratio is small, the neutrals do not gain appreciable kinetic energy in the process. When the original ions are cold the reaction produces neutrals that can be trapped or further manipulated with electromagnetic fields. Because a wide range of species can be targeted we envisage that our scheme may enable experiments at low temperature that…
X-ray production differential cross sections induced by C and Si ions with energies from 1 MeV/u down to 0.25 MeV/u, produced by the CMAM 5 MV tandem accelerator, have been measured for thin targets of Ti, Fe, Zn, Nb, Ru and Ta in a direct way. X-rays have been detected by a fully characterized silicon drift diode and beam currents have been measured by a system of two Faraday cups. Measured cross sections agree in general with previously published results. The ECPSSR theory with the united atoms correction gives absolute values close to the experimental ones for all the studied elements excit…
Atomic negative ions are fragile quantum systems in which correlation among the valence electrons plays a very important role. For doubly excited states correlation becomes dominant. Photodetachment is the process where a negative ion absorbs a photon and as a consquence ejects the outermost electron. A new detection scheme has been developed. The residual atom of a photodetachment is state selectively ionised by resonance ionisation spectroscopy. Investigations of the photodetachment threshold of tellurium with neutral particle detection yielded an electron affinity of 1589618(5) m^-1. With s…
Metastable levels in rhodium-like ions with the ground configuration $4p^{6}4d^{9}$ and the excited configurations $4p^{6}4d^{8}4f$ and $4p^{5}4d^{10}$ are investigated. The {\sl ab initio} calculations of the level energies, radiative multipole transition probabilities are performed in a quasirelativistic Hartree-Fock approximation employing an extensive configuration interaction based on quasirelativistic transformed radial orbitals. A systematic trends in behavior of calculated radiative lifetimes of the metastable levels are studied for the ions from $Z=60$ to $Z=92$. The significance of t…
The most important processes for the creation of S12+ to S14+ ions excited states from the ground configurations of S9+ to S14+ ions in an electron cyclotron resonance ion source, leading to the emission of K X-ray lines, are studied. Theoretical values for inner-shell excitation and ionization cross sections, including double KL and triple KLL ionization, transition probabilities and energies for the deexcitation processes, are calculated in the framework of the multi-configuration Dirac-Fock method. With reasonable assumptions about the electron energy distribution, a theoretical K$α$ X-ray …
The process of internal conversion from excited electronic states is investigated theoretically for the case of the vacuum-ultraviolet nuclear transition of $^{229}{\mathrm Th}$. Due to the very low transition energy, the $^{229}{\mathrm Th}$ nucleus offers the unique possibility to open the otherwise forbidden internal conversion nuclear decay channel for thorium ions via optical laser excitation of the electronic shell. We show that this feature can be exploited to investigate the isomeric state properties via observation of internal conversion from excited electronic configurations of ${\ma…
We use correlation potential and many-body perturbation theory techniques to calculate spin-independent and nuclear spin-dependent parts of the parity nonconserving amplitudes of the transitions between the $6s_{1/2}$ ground state and the $5d_{3/2}$ excited state of Ba$^+$ and Yb$^+$ and between the $7s_{1/2}$ ground state and the $6d_{3/2}$ excited state of Ra$^+$. The results are presented in a form convenient for extracting of the constants of nuclear-spin-dependent interaction (such as, e.g., anapole moment) from the measurements.
Emission lines from highly-excited states (n >= 5) of H- and He-like ions have been detected in astrophysical sources and fusion plasmas. For such excited states, R-matrix or distorted wave calculations for electron-impact excitation are very limited, due to the large size of the atomic basis set needed to describe them. Calculations for n >= 6 are also not generally available. We study the behaviour of the electron-impact excitation collision strengths and effective collision strengths for the most important transitions used to model electron collision dominated astrophysical plasmas, solar, …
We discuss possible search for optical transitions in Sm13+ and Sm14+ using ab initio calculations of differential dynamic polarizability. We calculate dynamic polarizability for M1 transition between first and second excited states of Sm14+ . Transition amplitudes and energies within optical range for states that contribute to the polarizability of the mentioned transition are presented. Employing simple analytical formula for polarizability data in the vicinity of a resonance and assuming that several values of the polarizability for different laser frequencies will be measured one can find …
Parity nonconservation (PNC) effect in recombination of a polarized electron with a heavy H-like ion in case of resonance with a doubly excited state of the corresponding He-like ion is studied. It is assumed that photons of the energy corresponding to the one-photon decay of the doubly excited state into the $2^1S_0$ or the $2^3P_0$ state are detected at a given angle with respect to the incident electron momentum. Calculations are performed for heliumlike thorium ($Z = 90$) and gadolinium ($Z = 64$), where the $2^1S_0$ and $2^3P_0$ levels are near to cross and, therefore, the PNC effect is s…
New experiments were proposed recently to investigate the regime of cold atomic and molecular ion-atom collision processes in a special hybrid neutral-atom--ion trap under high vacuum conditions. The collisional cooling of laser pre-cooled Ca$^+$ ions by ultracold Na atoms is being studied. Modeling this process requires knowledge of the radiative lifetime of the excited singlet A$^1Σ^+$ state of the (NaCa)$^+$ molecular system. We calculate the rate coefficient for radiative charge transfer using a semiclassical approach. The dipole radial matrix elements between the ground and the excited st…
Experimental and theoretical results are reported for photoionization of Ta-like (W$^{+}$) tungsten ions. Absolute cross sections were measured in the energy range 16 to 245 eV employing the photon-ion merged-beam setup at the Advanced Light Source in Berkeley. Detailed photon-energy scans at 100 meV bandwidth were performed in the 16 to 108 eV range. In addition, the cross section was scanned at 50 meV resolution in regions where fine resonance structures could be observed. Theoretical results were obtained from a Dirac-Coulomb R-matrix approach. Photoionization cross section calculations wer…
Results of a calculation valid to all orders in the nuclear-strength parameter Zαare presented for the two-loop Lamb shift, notably for the two-loop self-energy correction, for the ground and first excited states of ions with the nuclear charge numbers Z=60-100. A detailed comparison of the all-order calculation with earlier investigations based on an expansion in the parameter Zαis given. The calculation removes the largest theoretical uncertainty for the 2p_j-2s transition energies in heavy Li-like ions and is important for interpretation of experimental data.
In sudden perturbation approximation, the probability of the shake-up process accompanying inner-shell ionization is calculated for the isoelectronic sequences of Li-, Na- and K-like ions in the ground and excited $n$p and $n$d states. Numerical solutions of Hartree-Fock equations and hydrogen-like radial orbitals are used. Very large differences between the results of both approximations for all ions and strong dependences on ion charge are obtained at the beginning of the isoelectronic sequences.
We study transitions between ground and low-energy excited states of heavy ions corresponding to s-d single-electron transitions or s^2-d^2 double-electron transitions. The large nuclear charge Z and significant change in angular momentum of electron orbitals make these transitions highly sensitive to a potential variation in the fine-structure constant, alpha. The transitions may be considered as candidates for laboratory searches for space-time variation of alpha.
We demonstrate a method for precision spectroscopy on trapped ions in the limit of unresolved motional sidebands. By sympathetic cooling of a chain of crystallized ions we suppress adverse temperature variations induced by the spectroscopy laser that usually lead to a distorted line profle and obtain a Voigt profile with negligible distortions. We applied the method to measure the absolute frequency of the astrophysically relevant D2 transition in single 24-Mg+ ions and find 1072082934.33(16)MHz, a nearly 400fold improvement over previous results. Further, we find the excited state lifetime to…
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 …
Theoretical \emph{g}-factor calculations for the first excited \exst state of boronlike ions in the range $Z$=10--20 are presented and compared to the previously published values. The first-order interelectronic-interaction contribution is evaluated within the rigorous QED approach in the effective screening potential. The second-order contribution is considered within the Breit approximation. The QED and nuclear recoil corrections are also taken into account.
Iridium ions near $4f$-$5s$ level crossings are the leading candidates for a new type of atomic clocks with a high projected accuracy and a very high sensitivity to the temporal variation of the fine structure constant $α$. To identify spectra of these ions in experiment accurate calculations of the spectra and electromagnetic transition probabilities should be performed. Properties of the $4f$-core-excited states in Ir$^{16+}$, Ir$^{17+}$, and Ir$^{18+}$ ions are evaluated using relativistic many-body perturbation theory and Hartree-Fock-Relativistic method (COWAN code). We evaluate excitatio…
As an important step towards an atomic parity violation experiment in one single trapped Ra$^+$ ion, laser spectroscopy experiments were performed with on-line produced short-lived $^{212,213,214}$Ra$^+$ ions. The isotope shift of the $6\,^2$D$_{3/2}$\,-\,$7\,^2$P$_{1/2}$ and $6\,^2$D$_{3/2}$\,-\,$7\,^2$P$_{3/2}$ transitions and the hyperfine structure constant of the $7\,^2$S$_{1/2}$ and $6\,^2$D$_{3/2}$ states in $^{213}$Ra$^+$ were measured. These values provide a benchmark for the required atomic theory. A lower limit of $232(4)$ ms for the lifetime of the metastable $6\,^2$D$_{5/2}$ state…
The static and dynamic electric multipolar polarizabilities and second hyperpolarizabilities of the H$_2^+$, D$_2^+$, and HD$^+$ molecular ions in the ground and first excited states are calculated nonrelativistically using explicitly correlated Hylleraas basis sets. The calculations are fully nonadiabatic; the Born-Oppenheimer approximation is not used. Comparisons are made with published theoretical and experimental results, where available. In our approach, no derivatives of energy functions nor derivatives of response functions are needed. In particular, we make contact with earlier calcul…
We investigate the parity nonconservation effect in the elastic scattering of polarized electrons on heavy He-like ions, being initially in the ground state. The enhancement of the parity violation is achieved by tuning the energy of the incident electron in resonance with quasidegenerate doubly-excited states of the corresponding Li-like ion. We consider two possible scenarios. In the first one we assume that the polarization of the scattered electron is measured, while in the second one it is not detected.
A statistical theory of resonant multielectron recombination based on properties of chaotic eigenstates is developed. The level density of many-body states increases exponentially with the number of excited electrons. When the residual electron-electron interaction exceeds the interval between these levels, the eigenstates (called compound states or compound resonances if these states are in the continuum) become "chaotic" superpositions of large numbers of Hartree-Fock configurational basis states. This situation takes place in some rare-earth atoms and many open-shell multiply charged ions e…
We present numerical values for the self-energy shifts predicted by QED (Quantum Electrodynamics) for hydrogenlike ions (nuclear charge $60 \le Z \le 110$) with an electron in an $n=3$, 4 or 5 level with high angular momentum ($5/2\le j \le 9/2$). Applications include predictions of precision transition energies and studies of the outer-shell structure of atoms and ions.
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…
We perform ab initio QED calculations of energy levels for the $n=1$ and $n=2$ states of He-like ions with the nuclear charge in the range $Z = 12$-100. The complete set of two-electron QED corrections is evaluated to all orders in the parameter $\aZ$. Uncalculated contributions to energy levels come through orders $α^3 (\aZ)^2$, $α^2 (\aZ)^7$, and higher. The calculation presented is the first treatment for excited states of He-like ions complete through order $α^2 (\aZ)^4$. A significant improvement in accuracy of theoretical predictions is achieved, especially in the high-$Z$ region.
An effective optimization strategy has been developed to construct highly accurate bound state wave functions in various three-body systems. Our procedure appears to be very effective for computations of weakly bound states and various excited states, including rotationally excited states, i.e. states with $L \ge 1$. The efficiency of our procedure is illustrated by computations of the excited $P^{*}(L = 1)-$states in the $ddμ, dtμ$ and $ttμ$ muonic molecular ions, $P(L = 1)-$states in the non-symmetric $pdμ, ptμ$ and $dtμ$ ions and $2^{1}P(L = 1)-$ and $2^{3}P(L = 1)-$states in He atom(s).
We perform a calculation of quantum electrodynamics effects in excited states with $l>1$ of arbitrary two-body systems up to $α^6\,μ$ order. The obtained results are valid for hadronic atoms, as long as the strong interaction effects are negligible. We demonstrate that for circular states with $l\sim n$, the effective expansion parameter is $Z\,α/n$, which extends the applicability of the derived formulas to heavy ions. Moreover, inclusion of higher-order terms is feasible, which indicates that accurate measurements of excited states of, for example, muonic or antiprotonic hydrogenic ions can …
The total cross section for double ionization of lithiumlike ions by a high-energy photon is calculated in leading order of the nonrelativistic perturbation theory. The partial contributions due to simultaneous and sequential emissions of two electrons are taken into account. The cross section under consideration is shown to be related to those for double photoeffect on the ground and excited 2^{1,3}S states of heliumlike ions. The double-to-single ionization ratio is equal to R = 0.288/Z^2 for lithiumlike ions with moderate nuclear charge numbers Z. However, even for the lightest three-electr…
We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This theoretical development will be very useful to carry out high precision calculations of varieties of atomic properties in many atomic systems. We employ this method to calculate excitation energies of many low-lying states in a few Ne-like highly charged ions, such as Cr XV, Fe XVII, Co XVIII and Ni XIX ions, and compare them against their corresponding exp…
We present a method for measuring the polarizability of Rydberg ions confined in the harmonic potential of a Paul trap. For a highly excited electronic state, the coupling between the electronic wave function and the trapping field modifies the excitation probability depending on the motional state of the ion. This interaction strongly depends on the polarizability of the excited state and manifests itself in the state-dependent secular frequencies of the ion. We initialize a single trapped $^{40}$Ca$^+$ ion from the motional ground state into coherent states with $|α|$ up to 12 using electric…
