Effect of molecular constitution and conformation on positron binding and annihilation in alkanes.

The model-potential approach previously developed by the authors to study positron interactions with molecules is used to calculate the positron binding energy for n-alkanes (CnH2n+2) and the corresponding cycloalkanes (CnH2n). For n-alkanes, the dependence of the binding energy on the conformation of the molecule is investigated, with more compact structures showing greater binding energies. As a result, thermally averaged binding energies for larger alkanes (n ≳ 9) show a strong temperature dependence in the range of 100 K-600 K. This suggests that positron resonant annihilation can be used as a probe of rotational (trans-gauche) isomerization of n-alkanes. In particular, the presence of different conformers leads to shifts and broadening of vibrational Feshbach resonances in the annihilation rate, as observed with a trap-based low-energy positron beam.

Positron Binding and Annihilation in Alkane Molecules.

A model-potential approach has been developed to study positron interactions with molecules. Binding energies and annihilation rates are calculated for positron bound states with a range of alkane molecules, including rings and isomers. The calculated binding energies are in good agreement with experimental data, and the existence of a second bound state for n-alkanes (C_{n}H_{2n+2}) with n≥12 is predicted in accord with experiment. The annihilation rate for the ground positron bound state scales linearly with the square root of the binding energy.

Production of photoionized plasmas in the laboratory with x-ray line radiation.

In this paper we report the experimental implementation of a theoretically proposed technique for creating a photoionized plasma in the laboratory using x-ray line radiation. Using a Sn laser plasma to irradiate an Ar gas target, the photoionization parameter, ξ=4πF/N_{e}, reached values of order 50ergcms^{-1}, where F is the radiation flux in ergcm^{-2}s^{-1}. The significance of this is that this technique allows us to mimic effective spectral radiation temperatures in excess of 1 keV. We show that our plasma starts to be collisionally dominated before the peak of the x-ray drive. However, the technique is extendable to higher-energy laser systems to create plasmas with parameters relevant to benchmarking codes used to model astrophysical objects.

Many-Body Theory for Positronium-Atom Interactions.

A many-body-theory approach has been developed to study positronium-atom interactions. As first applications, we calculate the elastic scattering and momentum-transfer cross sections and the pickoff annihilation rate ^{1}Z_{eff} for Ps collisions with He and Ne. For He the cross section is in agreement with previous coupled-state calculations, while comparison with experiment for both atoms highlights discrepancies between various sets of measured data. In contrast, the calculated ^{1}Z_{eff} (0.13 and 0.26 for He and Ne, respectively) are in excellent agreement with the measured values.

Calculations of positron binding and annihilation in polyatomic molecules.

A model-potential approach to calculating positron-molecule binding energies and annihilation rates is developed. Unlike existing ab initio calculations, which have mostly been applied to strongly polar molecules, the present methodology can be applied to both strongly polar and weakly polar or nonpolar systems. The electrostatic potential of the molecule is calculated at the Hartree-Fock level, and a model potential that describes short-range correlations and long-range polarization of the electron cloud by the positron is then added. The Schrödinger equation for a positron moving in this effective potential is solved to obtain the binding energy. The model potential contains a single adjustable parameter for each type of atom present in the molecule. The wave function of the positron bound state may be used to compute the rate of electron-positron annihilation from the bound state. As a first application, we investigate positron binding and annihilation for the hydrogen cyanide molecule. Results for the binding energy are found to be in accord with existing calculations, and we predict the rate of annihilation from the bound state to be Γ = 0.1-0.2 × 109 s-1.

Vibrational Feshbach Resonances Mediated by Nondipole Positron-Molecule Interactions.

Measurements of energy-resolved positron-molecule annihilation show the existence of positron binding and vibrational Feshbach resonances. The existing theory describes this phenomenon successfully for the case of infrared-active vibrational modes that allow dipole coupling between the incident positron and the vibrational motion. Presented here are measurements of positron-molecule annihilation made using a recently developed cryogenic positron beam capable of significantly improved energy resolution. The results provide evidence of resonances associated with infrared-inactive vibrational modes, indicating that positron-molecule bound states may be populated by nondipole interactions. The anticipated ingredients for a theoretical description of such interactions are discussed.

Ionization of Atoms by Slow Heavy Particles, Including Dark Matter.

Atoms and molecules can become ionized during the scattering of a slow, heavy particle off a bound electron. Such an interaction involving leptophilic weakly interacting massive particles (WIMPs) is a promising possible explanation for the anomalous 9σ annual modulation in the DAMA dark matter direct detection experiment [R. Bernabei et al., Eur. Phys. J. C 73, 2648 (2013)]. We demonstrate the applicability of the Born approximation for such an interaction by showing its equivalence to the semiclassical adiabatic treatment of atomic ionization by slow-moving WIMPs. Conventional wisdom has it that the ionization probability for such a process should be exponentially small. We show, however, that due to nonanalytic, cusplike behavior of Coulomb functions close to the nucleus this suppression is removed, leading to an effective atomic structure enhancement. We also show that electron relativistic effects actually give the dominant contribution to such a process, enhancing the differential cross section by up to 1000 times.

γ-Ray spectra and enhancement factors for positron annihilation with core electrons.

Many-body theory is developed to calculate the γ spectra for positron annihilation in noble-gas atoms. Inclusion of electron-positron correlation effects and core annihilation gives spectra in excellent agreement with experiment [K. Iwata et al., Phys. Rev. Lett. 79, 39 (1997)]. The calculated correlation enhancement factors γ_{nl} for individual electron orbitals nl are found to scale with the ionization energy I_{nl} (in eV), as γ_{nl}=1+sqrt[A/I_{nl}]+(B/I_{nl})^{ß}, where A≈40 eV, B≈24 eV, and ß≈2.3.

Similarity between positronium-atom and electron-atom scattering.

We employ the impulse approximation for a description of positronium-atom scattering. Our analysis and calculations of Ps-Kr and Ps-Ar collisions provide a theoretical explanation of the similarity between the cross sections for positronium scattering and electron scattering for a range of atomic and molecular targets observed by S. J. Brawley et al. [Science 330, 789 (2010)].

Ubiquitous nature of multimode vibrational resonances in positron-molecule annihilation.

Positron annihilation on many molecules occurs via positron capture into vibrational Feshbach resonances, with annihilation rates often further enhanced by energy transfer to vibrational excitations weakly coupled to the positron continuum. Data presented here uncover another scenario in which the positron couples directly to a quasicontinuum of multimode vibrational states. A model that assumes excitation and escape from a statistically complete ensemble of multimode vibrations is presented that reproduces key features of the data.

Detecting positron-atom bound states through resonant annihilation.

A method is proposed for detecting positron-atom bound states by observing enhanced positron annihilation due to electronic Feshbach resonances at electron-volt energies. The method is applicable to a range of open-shell transition-metal atoms which are likely to bind the positron: Fe, Co, Ni, Tc, Ru, Rh, Sn, Sb, Ta, W, Os, Ir, and Pt. Estimates of their binding energies are provided.

Compton scatter profiles for warm dense matter.

In this paper, we discuss the possibility of using x-ray Compton scattering as a probe of the outer electronic structure of ions immersed in warm dense matter. It is proposed that the x-ray free-electron lasers currently under construction will provide an ideal tool for this, with the main pulse being used to create a uniform well-defined sample and the third harmonic providing a clean monochromatic probe. We model the plasma photon scatter spectrum by combining self-consistent finite-temperature electronic structure calculations with molecular dynamics simulations of the ion-ion structure factor. In particular, we present bound-free Compton profiles that are more accurate that those obtained using form factor or impulse approximations.

Positron annihilation in molecules by capture into vibrational Feshbach resonances of infrared-active modes.

Enhanced positron annihilation on polyatomic molecules is a long-standing and complex problem. We report the results of calculations of resonant positron annihilation on methyl halides. A free parameter of our theory is the positron binding energy. A comparison with energy-resolved annihilation rates measured for CH3F, CH3Cl, and CH3Br [L. D. Barnes, Phys. Rev. A 74, 012706 (2006)10.1103/PhysRevA.74.012706] shows good agreement and yields estimates of the binding energies.

Effect of target polarization in electron-ion recombination.

We present results of a study of the effect of target polarization on electron-ion recombination, and show that coherent radiation by the target electrons gives a large contribution to the recombination rate. It significantly modifies the nonresonant photorecombination background. A procedure has been devised whereby this contribution can be evaluated together with the conventional radiative recombination, independently of the dielectronic recombination component. Numerical results are presented for Zn2+, Cd2+, Sn4+, and Xe8+, showing up to an order-of-magnitude enhancement.

Enhancement of positron-atom annihilation near the positronium formation threshold.

The behavior of the positron- 2 gamma annihilation rate on an atomic target near the positronium (Ps) formation threshold is determined. When the positron energy epsilon approaches the threshold epsilon(thr) from below, the effective number of electrons contributing to the annihilation, Z(eff), grows as Z(eff) approximately A/square root of [epsilon(thr)-epsilon], where A is related to the size of the Ps formation cross section, sigma(Ps) approximately B square root of [epsilon-epsilon(thr)], by A = B square root of [2 epsilon(thr)]/32 pi (in atomic units). Taking account of the finite Ps lifetime eliminates the singularity in Z(eff) and shows that close to threshold the positron annihilation cross section is identical to the para-Ps formation cross section.