Based on quantum electrodynamics, we reexamine the two-photon decay of one-electron atoms. Special attention is paid to the calculation of the (two-photon) total decay rates which can be viewed as the imaginary part of the two-loop self-energy. We argue that our approach can easily be applied to the cases with a virtual state having an intermediate energy between the initial and the final state of the decay process leading, thus, to the resonance peaks in the two-photon energy distribution. In order to illustrate our approach, we obtain fully relativistic results, resolved into electric and magnetic multipole components, for the two-photon decay rates of the 3S_{1/2} -> 1S_{1/2} transition in neutral hydrogen as well as in various hydrogen-like ions.
We calculate the relativistic corrections of relative order (Z alpha)^2$ to the two-photon decay rate of higher excited S and D states in ionic atomic systems, and we also evaluate the leading radiative corrections of relative order alpha (Z alpha)^2 ln[(Z alpha)^(-2)]. We thus complete the theory of the two-photon decay rates up to relative order alpha^3 ln(alpha). An approach inspired by nonrelativistic quantum electrodynamics is used. We find that the corrections of relative order (Z alpha)^2 to the two-photon decay are given by the zitterbewegung, the spin-orbit coupling and by relativisti…
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.
A two-dimensional model atom is employed to study the ionization behavior of initially excited atomic states in highly-frequent intense laser pulses beyond the dipole approximation. An additional regime of ionization suppression is found at laser intensities where the stabilization effect is expected to break down. The appearance of this effect is due to a strong coupling of the initial wave function to the ground state of the cycle-averaged space-translated ionic potential, followed by a subsequent population transfer to the ground state during the laser pulse turn-off. Non-dipole effects are…
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…
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…
In this paper we review the different relativistic and QED contributions to energies, ionic radii, transition probabilities and Landé $g$-factors in super-heavy elements, with the help of the MultiConfiguration Dirac-Fock method (MCDF). The effects of taking into account the Breit interaction to all orders by including it in the self-consistent field process are demonstrated. State of the art radiative corrections are included in the calculation and discussed. We also study the non-relativistic limit of MCDF calculation and find that the non-relativistic offset can be unexpectedly large.
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 characterize the two-photon excitation of an ultracold gas of Rubidium atoms to Rydberg states analysing the induced atomic losses from an optical dipole trap. Extending the duration of the Rydberg excitation to several ms, the ground state atoms are continuously coupled to the formed positively charged plasma. In this regime we measure the $n$-dependence of the blockade effect and we characterise the interaction of the excited states and the ground state with the plasma. We also investigate the influence of the quasi-electrostatic trapping potential on the system, confirming the validity o…
We perform a study on extended adiabatic potential energy curves of nearly 38 states of 1,3$Σ^+$, 1,3$Π$ and 1,3$Δ$ symmetries for the (SrNa)$^+$ ion, though only the ground and first two excited states are used for the study of scattering processes. Full Interaction Configuration (CI) calculations are carried out for this molecule using the pseudopotential approach. In this context, it is considered that two active electrons interact with the ionic cores and all single and double excitations were included in the CI calculations. A correction including the core-core electron interactions is al…
The article presents calculated dissociative recombination (DR) rate coefficients for H+3 . The previous theoretical work on H+3 was performed using the adiabatic hyperspherical approximation to calculate the target ion vibrational states and it considered just a limited number of ionic rotational states. In this study, we use accurate vibrational wave functions and a larger number of possible rotational states of the H3+ ground vibrational level. The DR rate coefficient obtained is found to agree better with the experimental data from storage-ring experiments than the previous theoretical cal…
In this paper, we theoretically study x-ray multiphoton ionization dynamics of heavy atoms taking into account relativistic and resonance effects. When an atom is exposed to an intense x-ray pulse generated by an x-ray free-electron laser (XFEL), it is ionized to a highly charged ion via a sequence of single-photon ionization and accompanying relaxation processes, and its final charge state is limited by the last ionic state that can be ionized by a single-photon ionization. If x-ray multiphoton ionization involves deep inner-shell electrons in heavy atoms, energy shifts by relativistic effect…
Highly precise variational calculations of non-relativistic energies of the (2p^2)^3P^e state of Helium atom are presented.We get an upper bound energy E=-0.71050015565678 a.u.,the lowest yet obtained.
Rydberg atoms immersed in a Bose-Einstein condensate interact with the quantum gas via electron-atom and ion-atom interaction. To suppress the typically dominant electron-neutral interaction, Rydberg states with principal quantum number up to $n = 190$ are excited from a dense and tightly trapped micron-sized condensate. This allows us to explore a regime where the Rydberg orbit exceeds the size of the atomic sample by far. In this case, a detailed lineshape analysis of the Rydberg excitation spectrum provides clear evidence for ion-atom interaction at temperatures well below a microkelvin. Ou…
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…
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…
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…
In a recent experiment (N. Wagner et al., PNAS v103, p13279) on SF$_{6}$, a high-harmonic generating laser pulse is preceded by a pump pulse which stimulates Raman-active modes in the molecule. Varying the time delay between the two pulses modulates high harmonic intensity, with frequencies equal to the vibration frequencies of the Raman-active modes. We propose an explanation of this modulation as a quantum interference between competing pathways that occur via adjacent vibrational states of the molecule. The Raman and high harmonic processes act as beamsplitters, producing vibrational quantu…
Relativistic dipolar to hexadecapolar polarizabilities of the ground state and some excited states of hydrogenic atoms are calculated by using numerically exact energies and wave functions obtained from the Dirac equation with the Lagrange-mesh method. This approach is an approximate variational method taking the form of equations on a grid because of the use of a Gauss quadrature approximation. The partial polarizabilities conserving the absolute value of the quantum number $κ$ are also numerically exact with small numbers of mesh points. The ones where $|κ|$ changes are very accurate when us…
We perform relativistic configuration-interaction calculations of the energy levels of the low-lying and core-excited states of beryllium-like iron, Fe$^{22+}$. The results include the QED contributions calculated by two different methods, the model QED operator approach and the screening-potential approach. The uncertainties of theoretical energies are estimated systematically. The predicted wavelengths of the Kαtransitions in beryllium-like iron improve previous theoretical results and compare favorably with the experimental data.
We report ab initio correlated relativistic calculations of the effective electric field W_d acting on the electron in two excited electronic states of PbO, required for extracting the electric dipole moment of the electron from an ongoing experiment at Yale, which has the potential of improving accuracy for this elusive property by several orders of magnitude. The generalized relativistic effective core potential and relativistic coupled cluster methods are used, followed by nonvariational one-center restoration of the four-component wavefunction in the heavy atom core. W_d is -3.2\times 10^2…
Relativistic configuration-interaction calculations have been performed for the energy levels of the low-lying and core-excited states of beryllium-like argon, Ar$^{14+}$. These calculations include the one-loop QED effects as obtained by two different methods, the screening-potential approach as well as the model QED operator approach. The calculations are supplemented by a systematic estimation of uncertainties of theoretical predictions.
Using the relativistic coupled-cluster method, we have calculated ionization potentials, E1 matrix elements and dipole polarizabilities of many low-lying states of Ca$^+$. Contributions from the Breit interaction are given explicitly for these properties. Polarizabilities of the ground and the first excited d-states are determined by evaluating the wave functions that are perturbed to first order by the electric dipole operator and the black-body radiation shifts are estimated from these results. We also report the results of branching ratios and lifetimes of the first excited p-states using b…
We develop a relativistic Coulomb-corrected strong field approximation (SFA) for the investigation of spin effects at above-threshold ionization in relativistically strong laser fields with highly charged hydrogen-like ions. The Coulomb-corrected SFA is based on the relativistic eikonal-Volkov wave function describing the ionized electron laser-driven continuum dynamics disturbed by the Coulomb field of the ionic core. The SFA in different partitions of the total Hamiltonian is considered. The formalism is applied for direct ionization of a hydrogen-like system in a strong linearly polarized l…
Alkaline earth Rydberg atoms are very promising tools for quantum technologies. Their highly excited outer electron provides them with the remarkable properties of Rydberg atoms and, notably, with a huge coupling to external fields or to other Rydberg atoms while the ionic core retains an optically active electron. However, low angular-momentum Rydberg states suffer almost immediate autoionization when the core is excited. Here, we demonstrate that strontium circular Rydberg atoms with a core excited in a $4D$ metastable level are impervious to autoionization over more than a few millisecond t…
Stochastic ionization of highly excited relativistic hydrogenlike atom in the monochromatic field is considered. A theoretical analisis of chaotic dynamics of the electron based on Chirikov's criterion is given. Critical value of the external field is evaluated analytically.
The wavelengths and radiative transition probabilities for transitions 2lnl'-1snl", 2lnl'-1s2l", 1s2lnl'-1s^2.nl", 1s2lnl'-1s^2.2l", and the autoionization decay probabilities for doubly excited states 2lnl', 1s2lnl' were calculated in ions with atomic numbers Z=6-36 for n=2-10, l'=0-3. The calculations were carried out by means of the MZ code based on the Z-expansion method. Relativistic corrections were taken into account within the framework of the Breit operator. The main difference with previous calculations by MZ code consists in accounting for the first order corrections in powers of 1/…
Stochastic ionization of highly excited relativistic hydrogenlike atom in the monochromatic field is investigated. A theoretical analisis of chaotic dynamics of the relativistic electron based on Chirikov criterion is given for the cases of one- and three-dimensional atoms. Critical value of the external field is evaluated analitically. The diffusion coefficient and ionization time are calculated.
We compute the energy level displacement of the excited np states of kaonic hydrogen within the quantum field theoretic and relativistic covariant model of strong low-energy bar-KN interactions suggested in EPJA21, 11 (2004). For the width of the energy level of the excited 2p state of kaonic hydrogen, caused by strong low-energy interactions, we find Gamma_2p = 2 meV. This result is important for the theoretical analysis of the X-ray yields in kaonic hydrogen.
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…
In non-relativistic quantum mechanics we study the Coulomb systems of infinitely massive center of charge Z and two-three electrons: $(Z,e,e)$ and $(Z,e,e,e)$. It is shown that in both cases the total energy curve in $Z$ is smooth, without any visible irregularities. Thus, for both systems the physical integer charges $Z=1,2,...$ do not play a distinguished role as would be associated with charge quantization. By definition, a critical charge $Z_{cr}$ is a charge which separates a domain of the existence of bound states from a domain of unbound ones (continuum). For both systems the critical c…
Relativistic ab initio study on the spectroscopic and radiative properties of the lowest states and modeling of the optical cycles for the LiFr molecule
The energy level displacements of the excited nl states of pionic hydrogen and the contribution of the ns -> 1s transitions and the (pi^-p)_Coul -> 1s transitions of the pi^-p pair, coupled by the attractive Coulomb field in the S-wave state with a continuous energy spectrum, to the shift of the energy level of the ground state of pionic hydrogen, caused by strong low-energy interactions, are calculated within a quantum field theoretic, relativistic covariant and model-independent approach developed in nucl-th/0306047.
The relativistic and nonrelativistic approaches for the calculations of the two-photon decay rates of highly excited states in hydrogen are compared. The dependence on the principal quantum number (n) of the ns, nd, and np initial states is investigated up to n = 100 for the nonresonant emissions. For the ns states together with the main E1E1 channel the contributions of higher multipoles (M1M1, E2E2, E1M2) are considered. For the np states the E1M1 and E1E2 channels are evaluated. Moreover, the simple analytical formula for the E1M1 decay is derived in the nonrelativistic limit.
We present here the results of our relativistic many-body calculations of various properties of the first six low-lying excited states of indium. The calculations were performed using the relativistic coupled-cluster method in the framework of the singles, doubles and partial triples approximation. We obtain a large lifetime ~10s for the [4p^6]5s^2 5p_{3/2} state, which had not been known earlier. Our precise results could be used to shed light on the reliability of the lifetime measurements of the excited states of atomic indium that we have considered in the present work.
