Effect of positron-atom interactions on the annihilation gamma spectra of molecules

Calculations of ?-spectra for positron annihilation on a selection of molecules, including methane and its fluoro-substitutes, ethane, propane, butane and benzene are presented. The annihilation ?-spectra characterise the momentum distribution of the electron-positron pair at the instant of annihilation. The contribution to the ?-spectra from individual molecular orbitals is obtained from electron momentum densities calculated using modern computational quantum chemistry density functional theory tools. The calculation, in its simplest form, effectively treats the low-energy (thermalised, room-temperature) positron as a plane wave and gives annihilation ?-spectra that are about 40% broader than experiment, although the main chemical trends are reproduced. We show that this effective 'narrowing' of the experimental spectra is due to the action of the molecular potential on the positron, chiefly, due to the positron repulsion from the nuclei. It leads to a suppression of the contribution of small positron-nuclear separations where the electron momentum is large. To investigate the effect of the nuclear repulsion, as well as that of short-range electron-positron and positron-molecule correlations, a linear combination of atomic orbital description of the molecular orbitals is employed. It facilitates the incorporation of correction factors which can be calculated from atomic many-body theory and account for the repulsion and correlations. Their inclusion in the calculation gives -spectrum linewidths that are in much better agreement with experiment. Furthermore, it is shown that the effective distortion of the electron momentum density, when it is observed through positron annihilation -spectra, can be approximated by a relatively simple scaling factor. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.

Measuring positron-atom binding energies through laser-assisted photorecombination

Described here is a proposed experiment to use laser-assisted photorecombination of positrons from a trap-based beam and metal atoms in the gas phase to measure positron-atom binding energies. Signal rates are estimated, based in part upon experience studying resonant annihilation spectra using a trapbased positron beam. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.

Atom cooling using the dipole force of a single retroreflected laser beam

We present a mechanism for cooling atoms by a laser beam reflected from a single mirror. The cooling relies on the dipole force and thus in principle applies to arbitrary refractive particles including atoms, molecules, or dielectric spheres. Friction and equilibrium temperatures are derived by an analytic perturbative approach. Finally, semiclassical Monte-Carlo simulations are performed to validate the analytic results.

Ultracold radiative charge transfer in hybrid ion-atom traps

We present ab initio quantum chemistry calculations for elastic scattering and the radiative charge transfer reaction process and collision rates for trapped ytterbium ions immersed in a quantum degenerate rubidium vapor.
The collision of the ion (or ions) with the quasiatom is the key mechanism to transfer quantum coherences between the systems. We use first-principles
quantum chemistry codes to obtain the potential surfaces and coupling terms for the two-body interaction of Yb^+ with Rb. We find that the low energy collision has an inelastic radiative charge transfer process in agreement with recent experiments.
The charge transfer cross section agrees well with the semiclassical Langevin model at higher energies but is dominated by resonances at submillikelvin temperatures.

Charge steering of laser plasma accelerated fast ions in a liquid spray - Creation of MeV negative ion and neutral atom beams

The scenario of electron capture and loss has been recently proposed for the formation of negative ion and neutral atom beams with up to MeV kinetic energy [S. Ter-Avetisyan, Appl. Phys. Lett. 99, 051501 (2011)]. Validation of these processes and of their generic nature is here provided in experiments where the ion source and the interaction medium have been spatially separated. Fast positive ions accelerated from a laser plasma source are sent through a cold spray where their charge is changed. Such formed neutral atom or negative ion has nearly the same momentum as the original positive ion. Experiments are released for protons, carbon, and oxygen ions and corresponding beams of negative ions and neutral atoms have been obtained. The electron capture and loss phenomenon is confirmed to be the origin of the negative ion and neutral atom beams. The equilibrium ratios of different charge components and cross sections have been measured. Our method is general and allows the creation of beams of neutral atoms and negative ions for different species which inherit the characteristics of the positive ion source.

Probing spin-orbit-interaction-induced electron dynamics in the carbon atom by multiphoton ionization

We use R-matrix theory with time dependence (RMT) to investigate multiphoton ionization of ground-state atomic carbon with initial orbital magnetic quantum number M_L=0 and M_L=1 at a laser wavelength of 390 nm and peak intensity of 10(14) W/cm(2). Significant differences in ionization yield and ejected-electron momentum distribution are observed between the two values for M_L. We use our theoretical results to model how the spin-orbit interaction affects electron emission along the laser polarization axis. Under the assumption that an initial C atom is prepared at zero time delay with M_L=0, the dynamics with respect to time delay of an ionizing probe pulse modeled by using RMT theory is found to be in good agreement with available experimental data.

Synthesis of the C(7)-C(22)-Sector of (+)-Acutiphycin Via O-Directed Double Free Radical Alkyne Hydrostannation with Ph3SnH/Et3B, Double I-Sn Exchange and Double Stille Coupling

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Herein a new double O-directed free radical hydrostannation reaction is reported on the structurally complex dialkyldiyne 11. Through our use of a conformation-restraining acetal to help prevent stereocenter-compromising 1,5-H-atom abstraction reactions by vinyl radical intermediates, the two vinylstannanes of 10 were concurrently constructed with high stereocontrol using Ph3SnH/Et3B/O2. Distannane 10 was thereafter elaborated into the bis-vinyl iodide 9 via O-silylation and double I–Sn exchange; double Stille coupling of 9, O-desilylation, and oxidation thereafter furnished 8.

Positronium-atom scattering at low energies

A pseudopotential for positronium-atom interaction, based on electron-atom and positron-atom phase shifts, is constructed, and the phase shifts for Ps-Kr and Ps-Ar scattering are calculated. This approach allows us to extend the Ps-atom cross sections, obtained previously in the impulse approximation [I. I. Fabrikant and G. F. Gribakin, Phys. Rev. Lett. 112, 243201 (2014)], to energies below the Ps ionization threshold. Although experimental data are not available in this low-energy region, our results describe well the tendency of the measured cross sections to drop with decreasing velocity at v < 1 a.u. Our results show that the effect of the Ps-atom van der Waals interaction is weak compared to the polarization interaction in electron-atom and positron-atom scattering. As a result, the Ps scattering length for both Ar and Kr is positive, and the Ramsauer-Townsend minimum is not observed for Ps scattering from these targets. This makes Ps scattering quite different from electron scattering in the low-energy region, in contrast to the intermediate energy range from the Ps ionization threshold up to v ∼ 2 a.u., where the two are similar.

More nonlocality with less entanglement in a tripartite atom-optomechanical system

Quantum effects in hybrid atomic optomechanics in a system comprising a cloud of atoms and a mobile mirror mediated by a single-mode cavity are studied. Tripartite non-locality is observed in the atom-light-mirror system, as demonstrated by the violation of the Mermin-Klyshko (MK) inequality. It has been shown [C. Genes, et al., PRA 77, 050307 (R) (2008)] that tripartite entanglement is optimized when the cavity is resonant with the anti-Stokes sideband of the driving laser and the atomic frequency matches the Stokes one. However, we show that this is not the case for the nonlocality. The MK function achieves minima when the atoms are resonant with both the Stokes and anti-Stokes sidebands, and unexpectedly, we find violation of the MK inequality only in a parameter region where entanglement is far from being maximum. A negative relation exists between nonlocality and entanglement with consideration of the possibility of bipartite nonlocality in the violation of the MK inequality. We also study the non-classicality of the mirror by post-selected measurements, e.g. Geiger-like detection, on the cavity and/or the atoms. We show that with feasible parameters Geiger-like detection on the atoms can effectively induce mechanical non-classicality.

Ultracold, radiative charge transfer in hybrid Yb ion – Rb atom traps

Ultracold hybrid ion–atom traps offer the possibility of microscopic manipulation of quantum coherences in the gas using the ion as a probe. However, inelastic processes, particularly charge transfer can be a significant process of ion loss and has been measured experimentally for the ${\rm Y}{{{\rm b}}^{+}}$ ion immersed in a Rb vapour. We use first-principles quantum chemistry codes to obtain the potential energy curves and dipole moments for the lowest-lying energy states of this complex. Calculations for the radiative decay processes cross sections and rate coefficients are presented for the total decay processes; ${\rm Y}{{{\rm b}}^{+}}(6{\rm s}{{\;}^{2}}{\rm S})+{\rm Rb}(5{\rm s}{{\;}^{2}}{\rm S})\to {\rm Yb}(6{{{\rm s}}^{2}}{{\;}^{1}}{\rm S})+{\rm R}{{{\rm b}}^{+}}(4{{{\rm p}}^{6}}{{\;}^{1}}{\rm S})+h\nu $ and ${\rm Y}{{{\rm b}}^{+}}(6{\rm s}{{\;}^{2}}{\rm S})+{\rm Rb}(5{\rm s}{{\;}^{2}}{\rm S})\to {\rm YbR}{{{\rm b}}^{+}}({{X}^{1}}{{\Sigma }^{+}})+h\nu $. Comparing the semi-classical Langevin approximation with the quantum approach, we find it provides a very good estimate of the background at higher energies. The results demonstrate that radiative decay mechanisms are important over the energy and temperature region considered. In fact, the Langevin process of ion–atom collisions dominates cold ion–atom collisions. For spin-dependent processes [1] the anisotropic magnetic dipole–dipole interaction and the second-order spin–orbit coupling can play important roles, inducing coupling between the spin and the orbital motion. They measured the spin-relaxing collision rate to be approximately five orders of magnitude higher than the charge-exchange collision rate [1]. Regarding the measured radiative charge transfer collision rate, we find that our calculation is in very good agreement with experiment and with previous calculations. Nonetheless, we find no broad resonances features that might underly a strong isotope effect. In conclusion, we find, in agreement with previous theory that the isotope anomaly observed in experiment remains an open question.

Multiphoton inner-shell ionization of the carbon atom

We apply time-dependent R-matrix theory to study inner-shell ionization of C atoms in ultra-short high-frequency light fields with a photon energy between 170 and 245 eV. At an intensity of 10¹⁷ W/cm², ionization is dominated by single-photon emission of a 2l electron, with two-photon emission of a 1s electron accounting for about 2-3% of all emission processes, and two-photon emission of 2l contributing about 0.5-1%. Three-photon emission of a 1s electron is estimated to contribute about 0.01-0.03%. Around a photon energy of 225 eV, two-photon emission of a 1s electron, leaving C⁺ in either 1s2s2p³ or 1s2p⁴ is resonantly enhanced by intermediate 1s2s²2p³ states. The results demonstrate the capability of time-dependent R-matrix theory to describe inner-shell ionization processes including rearrangement of the outer electrons.

Time-dependent electron interference prior to ionization in the hydrogen atom and hydrogen molecular ion

We investigate electron dynamics in the hydrogen atom and the hydrogen molecular ion when exposed to long wavelength laser pulses yet having intensity insufficient to ionize the system. We find that the field is still able to drive the electron, leading to time-dependent interference effects.

Electron-impact ionization of the C atom

Time-dependent close-coupling (TDCC), R-matrix-with-pseudostates (RMPS), and time-independent distorted-wave (TIDW) methods are used to calculate electron-impact ionization cross sections for the carbon atom. The TDCC and RMPS results for the 1s22s22p2 ground configuration are in reasonable agreement with the available experimental measurements, while the TIDW results are 30% higher. Ionization of the 1s22s2p3 excited configuration is performed using the TDCC, RMPS, and TIDW methods. Ionization of the 1s22s22p3l (l=0–2) excited configurations is performed using the TDCC and TIDW methods. The ionization cross sections for the excited configurations are much larger than for the ground state. For example, the peak cross section for the 1s22s22p3p excited configuration is an order of magnitude larger than the peak cross section for the 1s22s22p2 ground configuration. The TDCC results are again found to be substantially lower than the TIDW results. The ionization cross-section results will permit the generation of more accurate, generalized collisional-radiative ionization coefficients needed for modeling moderately dense carbon plasmas.

Electron-impact ionization of the boron atom

Accurate knowledge of the electron-impact ionization of the B atom is urgently needed in current fusion plasma experiments to help design ITER wall components. Since no atomic measurements exist, nonperturba- tive time-dependent close-coupling (TDCC) calculations are carried out to accurately determine the direct ionization cross sections of the outer two subshells of B. Perturbative distorted-wave and semiempirical binary encounter calculations are found to yield cross sections from 26% lower to an order of magnitude higher than the current TDCC results. Unlike almost all neutral atoms, large excitation-autoionization contributions are found for the B atom. Nonperturbative R matrix with pseudostates (RMPS) calculations are also carried out to accurately determine the total ionization cross section of B. Previous 60 LS-term RMPS calculations are found to yield cross sections up to 40% higher than the current more extensive 476 LS-term RMPS results

Capture and loss of electron by MeV ions penetrating through liquid spray:Formation of negative ion and neutral atom beams

Charge changing processes of MeV ions penetrating through liquid spray is confirmed to be abundant source of various energetic negative ion and neutral atom beams its generic nature is demonstrated.