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arXiv:1712.05127 · Physical Review A

Calculations of positronium-atom scattering using a spherical cavity

A. R. Swann, G. F. Gribakin

Published Jan 22, 2018• 14 citations
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Abstract

Positronium (Ps) scattering by noble-gas atoms (He, Ne, Ar, Kr, and Xe) is studied in the frozen-target approximation and with inclusion of the van der Waals interaction. Single-particle electron and positron states in the field of the target atom are calculated, with the system enclosed by a hard spherical wall. The two-particle Ps wave function is expanded in these states, and the Hamiltonian matrix is diagonalized, giving the Ps energy levels in the cavity. Scattering phase shifts, scattering lengths, and cross sections are extracted from these energies and compared with existing calculations and experimental data. Analysis of the effect of the van der Waals interaction shows that it cannot explain the recent experimental data of Brawley et al. for Ar and Xe [Phys. Rev. Lett. 115, 223201 (2015)].

DOI
10.1103/physreva.97.012706

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Physical Review A•Mar 18, 2002•81 citations
Positronium (Ps) scattering by noble-gas atoms (He, Ne, Ar, Kr, and Xe) is studied in the frozen-target approximation and with inclusion of the van der Waals interaction. Single-particle electron and positron states in the field of the target atom are calculated, with the system enclosed by a hard spherical wall. The two-particle Ps wave function is expanded in these states, and the Hamiltonian matrix is diagonalized, giving the Ps energy levels in the cavity. Scattering phase shifts, scattering lengths, and cross sections are extracted from these energies and compared with existing calculations and experimental data. Analysis of the effect of the van der Waals interaction shows that it cannot explain the recent experimental data of Brawley et al. for Ar and Xe [Phys. Rev. Lett. 115, 223201 (2015)].
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<1v<1v<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 $v\ensuremath{\sim}2$ a.u., where the two are similar.
Calculations are reported for positronium (Ps) scattering by atomic hydrogen (H) in the energy range 0--6.5 eV in a coupled-pseudostate approximation in which excitation and ionization channels of both the Ps and the H are taken into account. The approximation contains an accurate representation of the van der Waals coefficient. Results are presented for phase shifts, scattering lengths, effective ranges, and various cross sections including partial wave, total, and ortho-para conversion cross sections. An analysis of the possible spin transitions is provided and the energy of the positronium hydride (PsH) bound state is determined. Substantial differences are found from earlier work within the frozen target approximation, now clearly confirming the importance of target excitation channels. Good agreement is obtained with recent calculations of S-wave phase shifts and scattering lengths using the stabilization method. Convergence to the exact binding energy for PsH appears to be slow. Resonances corresponding to unstable states of the positron orbiting ${\mathrm{H}}^{\ensuremath{-}}$ are seen in the electronic spin singlet partial waves. The importance of the ${\mathrm{H}}^{\ensuremath{-}}$ formation channel is discussed.
Low-energy properties of spin-polarized electron-helium (23S)(2\phantom{\rule{0.16em}{0ex}}^{3}S)(23S) and spin-polarized positronium-helium (23S)(2\phantom{\rule{0.16em}{0ex}}^{3}S)(23S) scattering are calculated using the modified confined variational method. To take the van der Waals interaction into consideration, the van der Waals coefficient between positronium and helium (23S)(2\phantom{\rule{0.16em}{0ex}}^{3}S)(23S) is calculated using the explicitly correlated Gaussian basis. Compared with the ground state noble gases, the larger scattering length and zero pickoff annihilation rate indicates that He(23S)\mathrm{He}(2\phantom{\rule{0.16em}{0ex}}^{3}S)He(23S) may be a more suitable cooling gas. In the energy range we considered, no similarity is found for the SSS-wave cross sections between these two scatterings. A Ramsauer-Townsend minimum is observed in spin-polarized electron-helium(23S)(2\phantom{\rule{0.16em}{0ex}}^{3}S)(23S) scattering due to the large polarization of metastable helium. This may open a new way to find and study the Ramsauer-Townsend effect.
Positron cooling and annihilation in room temperature noble gases is simulated using accurate scattering and annihilation cross sections calculated with many-body theory, enabling the first simultaneous probing of the energy dependence of the scattering and annihilation cross sections. A strikingly small fraction of positrons is shown to survive to thermalization: ∼0.1 in He, ∼0 in Ne, ∼0.15 in Ar, ∼0.05 in Kr, and ∼0.01 in Xe. For Xe, the time-varying annihilation rate Z[over ¯]_{eff}(τ) is shown to be highly sensitive to the depletion of the momentum distribution due to annihilation, conclusively explaining the long-standing discrepancy between gas-cell and trap-based measurements. Overall, the use of the accurate atomic data gives Z[over ¯]_{eff}(τ) in close agreement with experiment for all noble gases except Ne, the experiment for which is proffered to have suffered from incomplete knowledge of the fraction of positrons surviving to thermalization and/or the presence of impurities.
The scattering of orthopositronium from He, Ne, Ar, Li+,{\mathrm{Li}}^{+},Li+, Na+,{\mathrm{Na}}^{+},Na+, and K+{\mathrm{K}}^{+}K+ is investigated with the fixed-core stochastic variational method. The scattering length for $\mathrm{Ps}\ensuremath{-}\mathrm{He}$ scattering was 1.57a0,{1.57a}_{0},1.57a0​, a value consistent with the threshold cross sections derived from three positron lifetime experiments. The scattering lengths for the $\mathrm{P}\mathrm{s}\ensuremath{-}\mathrm{N}\mathrm{e}$ and $\mathrm{P}\mathrm{s}\ensuremath{-}\mathrm{A}\mathrm{r}$ systems were 1.55a0{1.55a}_{0}1.55a0​ and 1.79a0,{1.79a}_{0},1.79a0​, respectively. That there was only a 15% variation among the scattering lengths is compatible with the experiment of Coleman et al. [J. Phys. B 27, 981 (1994)], who found the low-energy cross sections for He, Ne, and Ar to be about the same size. The scattering lengths for Ps scattering from Li+,{\mathrm{Li}}^{+},Li+, Na+,{\mathrm{Na}}^{+},Na+, and K+{\mathrm{K}}^{+}K+ were 12.9a0,{12.9a}_{0},12.9a0​, 28.5a0,{28.5a}_{0},28.5a0​, and $\ensuremath{-}{1.9a}_{0}.$ The relatively small magnitude of the ${\mathrm{P}\mathrm{s}\ensuremath{-}\mathrm{K}}^{+}$ scattering length strongly supports previous suggestions that the ${\mathrm{P}\mathrm{s}\ensuremath{-}\mathrm{K}}^{+}$ system does not support a bound state. The annihilation parameter 1Zeff{}^{1}{Z}_{\mathrm{eff}}1Zeff​ has also been computed as part of the analysis. The present values of 1Zeff{}^{1}{Z}_{\mathrm{eff}}1Zeff​ are about 2.5--3 times smaller than the accepted experimental values since short-range electron-positron correlations were not taken into consideration when the annihilation matrix element was evaluated.
A two-parameter semiempirical theory of positron scattering and annihilation is developed and used to investigate the behavior of positrons interacting with the rare gases and metal vapors. The two-parameter theory is able to do a reasonable job of reproducing existing cross section and annihilation data for the rare gases. A model-potential calculation that correctly predicts the behavior of the phase shifts will also predict the energy dependence of Zeff(k){Z}_{\mathrm{eff}}(k)Zeff​(k) even if the magnitude is incorrect. Analysis of the Zeff{Z}_{\mathrm{eff}}Zeff​ versus temperature data of Kurz et al. [Phys. Rev. Lett. 77, 2929 (1996)] suggests scattering lengths of $\ensuremath{-}5.6\ifmmode\pm\else\textpm\fi{}{1.0a}_{0},$ $\ensuremath{-}10.3\ifmmode\pm\else\textpm\fi{}{2.0a}_{0},$ and $\ensuremath{-}56\ifmmode\pm\else\textpm\fi{}{15a}_{0}$ for Ar, Kr, and Xe, respectively. Existing bound-state calculations can be used to fix the values of the semi-empirical parameters for a number of metal vapors, resulting in predicted Zeff{Z}_{\mathrm{eff}}Zeff​ of 119, 36, and 94 for Be, Mg, and Cu at threshold. In addition to the calculations, expressions relating the threshold form of Zeff(k){Z}_{\mathrm{eff}}(k)Zeff​(k) to the complex scattering length are presented.