Effect of dipole polarizability on positron binding by strongly polar molecules

A model for positron binding to polar molecules is considered by combining the dipole potential outside the molecule with a strongly repulsive core of a given radius. Using existing experimental data on binding energies leads to unphysically small core radii for all of the molecules studied. This suggests that electron-positron correlations neglected in the simple model play a large role in determining the binding energy. We account for these by including polarization potential via perturbation theory and non-perturbatively. The perturbative model makes reliable predictions of binding energies for a range of polar organic molecules and hydrogen cyanide. The model also agrees with the linear dependence of the binding energies on the polarizability inferred from the experimental data [Danielson et al 2009 J. Phys. B: At. Mol. Opt. Phys. 42 235203]. The effective core radii, however, remain unphysically small for most molecules. Treating molecular polarization non-perturbatively leads to physically meaningful core radii for all of the molecules studied and enables even more accurate predictions of binding energies to be made for nearly all of the molecules considered.Comment: 26 pages, 18 figure

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 Schrodinger 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 (HCN) 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 $\Gamma=0.1$--$0.2 \times 10^9~\text{s}^{-1}$.Comment: 13 pages, 6 figures, accepted by J. Chem. Phy

Dielectric molding apparatus Patent

Dielectric apparatus for heating, fusing, and hardening of organic matrix to form plastic material into shaped produc

van der Waals coefficients for positronium interactions with atoms

The random-phase approximation with exchange (RPAE) is used with a $B$-spline basis to compute dynamic dipole polarizabilities of noble-gas atoms and several other closed-shell atoms (Be, Mg, Ca, Zn, Sr, Cd, and Ba). From these, values of the van der Waals $C_6$ constants for positronium interactions with these atoms are determined and compared with existing data. Our best predictions of $C_6$ for Ps--noble-gas pairs are expected to be accurate to within 1%, and to within a few per cent for the alkaline earths. We also used accurate dynamic dipole polarizabilities from the literature to compute the $C_6$ coefficients for the alkali-metal atoms. Implications of increased $C_6$ values for Ps scattering from more polarizable atoms are discussed.Comment: 6 pages, submitted to Physical Review

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 $^1Z_\text{eff}$ for Ps collisions with He and Ne. The cross section for He is in agreement with previous coupled-state calculations, and the momentum-transfer cross section for Ne agrees with available experimental data. $^1Z_\text{eff}$ is found to be 0.13 and 0.26 for He and Ne, respectively, in excellent agreement with the measured values.Comment: Accepted by Phys. Rev. Lett. (V2 contains update to text and Figs. 3 and 5. V3 contains further discussion on the calculation of pickoff annihilation rates.

Effect of composition and density on the ablative performance of phenolic-nylon

Composition and density effects on ablative performance of phenolic-nylo

Positronium collisions with rare-gas atoms

We calculate elastic scattering of positronium (Ps) by the Xe atom using the recently developed pseudopotential method [I. I. Fabrikant and G. F. Gribakin, Phys. Rev. A 90, 052717 (2014)] and review general features of Ps scattering from heavier rare-gas atoms: Ar, Kr, and Xe. The total scattering cross section is dominated by two contributions: elastic scattering and Ps ionization (breakup). To calculate the Ps ionization cross sections we use the binary-encounter method for Ps collisions with an atomic target. Our results for the ionization cross section agree well with previous calculations carried out in the impulse approximation. Our total Ps-Xe cross section, when plotted as a function of the projectile velocity, exhibits similarity with the electron-Xe cross section for the collision velocities higher than 0.8 a.u., and agrees very well with the measurements at Ps velocities above 0.5 a.u.Comment: 7 pages, 7 figures, submitted to J. Phys.

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 which 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.Comment: 5 pages, 2 figures, Phys. Rev. Lett. (in press