Level Structure and Properties of Open f-Shell Elements

Open f-shell elements still constitute a great challenge for atomic theory owing to their (very) rich fine-structure and strong correlations among the valence-shell electrons. For these medium and heavy elements, many atomic properties are sensitive to the correlated motion of electrons and, hence, require large-scale computations in order to deal consistently with all relativistic, correlation and rearrangement contributions to the electron density. Often, different concepts and notations need to be combined for just classifying the low-lying level structure of these elements. With Jac, the Jena Atomic Calculator, we here provide a toolbox that helps to explore and deal with such elements with open d- and f-shell structures. Based on Dirac’s equation, Jac is suitable for almost all atoms and ions across the periodic table. As an example, we demonstrate how reasonably accurate computations can be performed for the low-lying level structure, transition probabilities and lifetimes for Th2+ ions with a 5f6d ground configuration. Other, and more complex, shell structures are supported as well, though often for a trade-off between the size and accuracy of the computations. Owing to its simple use, however, Jac supports both quick estimates and detailed case studies on open d- or f-shell elements.

Long-Range Interactions for Hydrogen Atoms in Excited D States

Pressure shifts inside an atomic beam are among the more theoretically challenging effects in high-precision measurements of atomic transitions. A crucial element in their theoretical analysis is the understanding of long-range interatomic interactions inside the beam. For excited reference states, the presence of quasi-degenerate states leads to additional challenges, due to the necessity to diagonalize large matrices in the quasi-degenerate hyperfine manifolds. Here, we focus on the interactions of hydrogen atoms in reference states composed of an excited nD state (atom A), and in the metastable 2S state (atom B). We devote special attention to the cases n=3 and n=8. For n=3, the main effect is generated by quasi-degenerate virtual P states from both atoms A and B and leads to experimentally relevant second-order long-range (van-der-Waals) interactions proportional to the sixth inverse power of the interatomic distance. For n=8, in addition to virtual states with two states of P symmetry, one needs to take into account combined virtual P and F states from atoms A and B. The numerical value of the so-called C6 coefficients multiplying the interaction energy was found to grow with the principal quantum number of the reference D state; it was found to be of the order of 1011 in atomic units. The result allows for the calculation of the pressure shift inside atomic beams while driving transitions to nD states.

Excitations of the nS States of Atomic Hydrogen by Electron Impact, Excitation Rate Coefficients, and Phase Shifts: Comparison with Positron Impact Excitation

The excitation cross-sections of the nS states of atomic hydrogen, n = 2 to 6, by electron impact on the ground state of atomic hydrogen were calculated using the variational polarized-orbital method at various incident electron energies in the range 10 to 122 eV. Converged excitation cross-sections were obtained using sixteen partial waves (L = 0 to 15). Excitation cross-sections to 2S state, calculated earlier, were calculated at higher energies than before. Results obtained using the hybrid theory (variational polarized orbital method) are compared to those obtained using other approaches such as the Born–Oppenheimer, close-coupling, R-matrix, and complex-exterior scaling methods using only the spherical symmetric wave functions. Phase shifts and elastic cross-sections are given at various energies and angular momenta. Excitation rate coefficients were calculated at various electron temperatures, which are required for plasma diagnostics in solar and astrophysics to infer plasma parameters. Excitation cross-sections are compared with those obtained by positron impact excitation.

Accurate Exponential Representations for the Ground State Wave Functions of the Collinear Two-Electron Atomic Systems

In the framework of the study of helium-like atomic systems possessing the collinear configuration, we propose a simple method for computing compact but very accurate wave functions describing the relevant S-state. It is worth noting that the considered states include the well-known states of the electron–nucleus and electron–electron coalescences as a particular case. The simplicity and compactness imply that the considered wave functions represent linear combinations of a few single exponentials. We have calculated such model wave functions for the ground state of helium and the two-electron ions with nucleus charge 1≤Z≤5. The parameters and the accompanying characteristics of these functions are presented in tables for number of exponential from 3 to 6. The accuracy of the resulting wave functions are confirmed graphically. The specific properties of the relevant codes by Wolfram Mathematica are discussed. An example of application of the compact wave functions under consideration is reported.

Pattern Formation in One-Dimensional Polaron Systems and Temporal Orthogonality Catastrophe

Recent studies have demonstrated that higher than two-body bath-impurity correlations are not important for quantitatively describing the ground state of the Bose polaron. Motivated by the above, we employ the so-called Gross Ansatz (GA) approach to unravel the stationary and dynamical properties of the homogeneous one-dimensional Bose-polaron for different impurity momenta and bath-impurity couplings. We explicate that the character of the equilibrium state crossovers from the quasi-particle Bose polaron regime to the collective-excitation stationary dark-bright soliton for varying impurity momentum and interactions. Following an interspecies interaction quench the temporal orthogonality catastrophe is identified, provided that bath-impurity interactions are sufficiently stronger than the intraspecies bath ones, thus generalizing the results of the confined case. This catastrophe originates from the formation of dispersive shock wave structures associated with the zero-range character of the bath-impurity potential. For initially moving impurities, a momentum transfer process from the impurity to the dispersive shock waves via the exerted drag force is demonstrated, resulting in a final polaronic state with reduced velocity. Our results clearly demonstrate the crucial role of non-linear excitations for determining the behavior of the one-dimensional Bose polaron.

Electron Impact Ionization of Metastable States of Diatomic Molecules

The Binary-Encounter Bethe approach was applied to the estimation of total ionization induced by electron impact in metastable states of diatomic molecules. The cross sections recently obtained for N2 and CO are reviewed and the new results for H2 are presented, discussing their reliability through the comparison with other theoretical methods.

Magic Wavelengths for 1S–nS and 2S–nS Transitions in Hydrogenlike Systems

We study the magic wavelength for two-photon 1S–nS transitions in a hydrogen and deuterium atom, as well as 2S–nS transitions, where the lower level is the metastable 2S state. At the magic wavelength, the dynamic Stark shifts of the ground and the excited state of the transition coincide, so that the transition frequency is independent of the intensity of the trapping laser field. Experimentally feasible magic wavelengths of transitions with small slopes in the atomic polarizabilities are determined; these are the most stable magic wavelengths against variations of the laser frequency. We provide data for the magic wavelengths for the 1S–nS and 2S–nS transitions in hydrogen and deuterium, with n=2,⋯,8. We also analyze the stability of the elimination of the ac Stark shift at the magic wavelength against tiny variations of the trapping laser frequency from the magic value.

Mechanisms of 1s Double-Core-Hole Excitation and Decay in Neon

The formation and decay of double-core-hole (DCH) states of the neon ion irradiated by an intense electromagnetic x-ray field are studied theoretically. In the present research DCH formation is the result of sequential absorption of two photons with the creation of an intermediate ion. Detailed calculations of the partial decays and probabilities of shake-ups at the atomic and ionic ionization stages are presented. The angular distribution of photoelectrons corresponding to various residual ionic states are calculated. Specifically, we predict the lack of any photoelectrons corresponding to the residual ionic state 1s12s22pnmpn′2Sf+1D in the direction of the electric field polarization. Dynamical competition between single-core-hole state decay and excitation is analyzed and pulse parameters corresponding to various dynamical regimes are found.

One-Dimensional Disordered Bosonic Systems

Disorder is everywhere in nature and it has a fundamental impact on the behavior of many quantum systems. The presence of a small amount of disorder, in fact, can dramatically change the coherence and transport properties of a system. Despite the growing interest in this topic, a complete understanding of the issue is still missing. An open question, for example, is the description of the interplay of disorder and interactions, which has been predicted to give rise to exotic states of matter such as quantum glasses or many-body localization. In this review, we will present an overview of experimental observations with disordered quantum gases, focused on one-dimensional bosons, and we will connect them with theoretical predictions.

Study of Positron Impact Scattering from Methane and Silane Using an Analytically Obtained Static Potential with Correlation Polarization

A detailed study of positron impact elastic scattering from methane and silane is carried out using a model potential consisting of static and polarization potentials. The static potential for the molecular target is obtained analytically by using accurate Gaussian molecular wavefunctions. The molecular orbitals are expressed as a linear combination of Gaussian atomic orbitals. Along with the analytically obtained static potential, a correlation polarization potential is also added to construct the model potential. Utilizing the model potential, the Schrödinger equation is solved using the partial wave phase shift analysis method, and the scattering amplitude is obtained in terms of the phase shifts. Thereafter, the differential, integrated and total cross sections are calculated. These cross-section results are compared with the previously reported measurements and theoretical calculations.