Using a complex model potential, we have calculated the total, integrated elastic, momentum transfer, absorption, and differential cross sections for positrons scattered from molecular hydrogen. The widely available software package GAUSSIAN is used to generate the radial electronic charge density of the molecule which is used to produce the interaction potentials. The quasifree absorption potential, previously developed and used for positron-atom scattering, is extended to positron scattering from molecular targets. It is shown that this model potential approach produces accurate results even into the low-energy regime.
The positron-hydrogen atom scattering system is considered within the S-wave model. Convergence in the elastic scattering, excitation, ionization, and positronium formation channels is studied as a function of the number and type of states used to expand the total wave function. It is found that all unphysical resonances disappear only if near-complete pseudostate expansions are applied to both the atomic and positronium centers.
Effect of charge-transfer recombination for positronium (Ps) scattering is studied on Ps-H system using coupled-channel formalism considering a new rearrangement channel Ps+H --> e^+ + H^- and exchange. The correlation and continuum effects introduced by this charge-transfer channel result to substantial convergence to the low energy scattering parameters. Effects on scattering length, PsH binding energy, and low-energy (0-10 eV) phase-shifts and cross sections are evaluated and H$^-$ formation cross sections are reported from above the threshold (6.438 eV) to 100 eV.
Hyperspherical close-coupling method is used to calculate the elastic, positronium formation and excitation cross sections for positron collisions with atomic hydrogen at energies below the H(n=4) threshold for the J=2 partial wave. The resonances below each inelastic threshold are also analyzed. The adiabatic hyperspherical potential curves are used to identify the nature of these resonances.
Diagrammatic many-body theory is used to calculate the scattering phase shifts, normalized annihilation rates $Z_{\rm eff}$ and annihilation gamma spectra for positron collisions with the hydrogen-like ions He$^+$, Li$^{2+}$, B$^{4+}$ and F$^{8+}$. Short-range electron-positron correlations and longer-range positron-ion correlations are accounted for by evaluating nonlocal corrections to the annihilation vertex and the exact positron self-energy. The numerical calculation of the many-body theory diagrams is performed using B-spline basis sets. To elucidate the rôle of the positron-ion repulsio…
A long-standing problem to account for the electron-positron annihilation in positron Hydrogen scattering above the Positronium formation threshold has been resolved by the use of the three-body Faddeev formalism. The multichannel three-body theory for scattering states in presence of a complex absorbing potential is developed in order to compute the direct $e^+ e^-$ annihilation amplitude, the amplitude of Positronium formation and respective cross sections. A number of $e^+ e^-$ direct annihilation cross sections and Positronium formation cross sections in the energy gap between Ps$(1s)$ and…
We study the classical dynamics of the collinear positron-hydrogen scattering system below the three-body breakup threshold. Observing the chaotic behavior of scattering time signals, we in- troduce a code system appropriate to a coarse grained description of the dynamics. And, for the purpose of systematic analysis of the phase space structure, a surface of section is introduced being chosen to match the code system. Partition of the surface of section leads us to a surprising conjec- ture that the topological structure of the phase space of the system is invariant under exchange of the dynam…
The confined variational method is used to generate a basis of correlated gaussians to describe the interaction region wave function for positron scattering from the H$_2$ molecule. The scattering length was $\approx -2.7$ $a_0$ while the zero energy $Z_{\rm eff}$ of 15.7 is compatible with experimental values. The variation of the scattering length and $Z_{\rm eff}$ with inter-nuclear distance was surprisingly rapid due to virtual state formation at $R \approx 3.4$ $a_0$.
We present a convergent variational basis-set calculational scheme for elastic scattering of positronium atom by hydrogen atom in S wave. Highly correlated trial functions with appropriate symmetry are needed for achieving convergence. We report convergent results for scattering lengths in atomic units for both singlet ($=3.49\pm 0.20$) and triplet ($=2.46\pm 0.10$) states.
The present theoretical work addresses the study of the formation of a positive Antihydrogen ion in a single charge exchange reaction where a positronium ( ground or excited state) interacts with a ground state anti-hydrogen atom, being embedded in a dense Debye plasma. The calculations are carried out in the frame work of a Coulomb Distorted Eikonal Approximation. The result shows that Ps(3S) is the most interesting state to enhance the anti H^+ production at the energy close to the reaction threshold. Regarding the Debye screening, it may be inferred that in lower energy regime, the screenin…
A problem to account for the direct electron-positron annihilation in positron-hydrogen scattering above the positronium formation threshold has been resolved within the time independent formalism. The generalization of the optical theorem is derived for the case when an absorption potential is present in the Hamiltonian. With this theorem the annihilation cross section is fully determined by scattering amplitudes. This allows us to separate out analytically the contribution of the positronium formation from the overall annihilation cross section. The rest is determined as the direct annihilat…
We report results of differential cross sections for elastic scattering, target-elastic Ps excitations and target-inelastic excitation of hydrogen in a five-state coupled-channel model allowing for Ps(1s)H(2s,2p) and Ps(2s,2p)H(1s) excitations using a recently proposed time-reversal-symmetric regularized electron-exchange model potential. The present model yields a singlet Ps-H S-wave resonance at 4.01 eV of width 0.15 eV and a P-wave resonance at 5.08 eV of width 0.004 eV. We also study the effect of the inclusion of the excited Ps and H states on the convergence of the coupled-channel scheme…
Positronium-hydrogen (Ps-H) scattering is of interest, as it is a fundamental four-body Coulomb problem. We have investigated low-energy Ps-H scattering below the Ps(n=2) excitation threshold using the Kohn variational method and variants of the method with a trial wavefunction that includes highly correlated Hylleraas-type short-range terms. We give an elegant formalism that combines all Kohn-type variational methods into a single form. Along with this, we have also developed a general formalism for Kohn-type matrix elements that allows us to evaluate arbitrary partial waves with a single cod…
A many-body theory approach developed by the authors [Phys. Rev. A 70, 032720 (2004)] is applied to positron bound states and annihilation rates in atomic systems. Within the formalism, full account of virtual positronium (Ps) formation is made by summing the electron-positron ladder diagram series, thus enabling the theory to include all important many-body correlation effects in the positron problem. Numerical calculations have been performed for positron bound states with the hydrogen and halogen negative ions, also known as Ps hydride and Ps halides. The Ps binding energies of 1.118, 2.718…
We have implemented the paraxial approximation followed by the time-dependent Hartree-Fock method with frozen core for the single impact ionization of atoms and two-atomic molecules. It reduces the original scattering problem to the five-dimensional time-dependent Schrödinger equation solution. By using this method we calculated the multi-fold differential cross section of the impact single ionization of the helium atom, the hydrogen molecule and the nitrogen molecule by the intermediate energy electrons. Our results for the helium and the hydrogen are quite close to experimental data, but for…
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 eff…
The scattering of ortho-positronium (Ps) by hydrogen atoms has been investigated in a five-state coupled-channel model allowing for Ps(1s)H(2s,2p) and Ps(2s,2p)H(1s) excitations using a recently proposed electron-exchange model potential. The higher ($n\ge 3$) excitations and ionization of the Ps atom are calculated using the first Born approximation. Calculations are reported of scattering lengths, phase shifts, elastic, Ps- and H-excitation, and total cross sections. Remarkable correlations are observed between the S-wave Ps-H binding energy and the singlet scattering length, effective range…
A many-body theory approach is developed for the problem of positron-atom scattering and annihilation. Strong electron-positron correlations are included non-perturbatively through the calculation of the electron-positron vertex function. It corresponds to the sum of an infinite series of ladder diagrams, and describes the physical effect of virtual positronium formation. The vertex function is used to calculate the positron-atom correlation potential and nonlocal corrections to the electron-positron annihilation vertex. Numerically, we make use of B-spline basis sets, which ensures rapid conv…
We theoretically study the positron elastic scattering by an atom with a multielectron semifilled subshell in its structure. The positron scattering by the Mn($...3d^{5}4s^{2}$,$^{6}S)$ atom with a $3d^{5}$ semifilled subshell ($e^{+}+Mn$ scattering) is chosen as a case study. We account for both the electron correlation and the formation of a $e^{+}+e^{-}$ virtual positronium (Ps) in the intermediate states of the $e^{+}+Mn$ system. Electron correlation is taken into account in the framework of the self-energy part of the scattering positron Green function generalized for the application to s…
We have implemented three variants of the exterior complex scaling procedure in prolate spheroidal coordinates (PS-ECS) to study the dissociative electron impact ionization-excitation of hydrogen molecule, where the emerging electrons and one of the protons are detected in coincidence for the first time in a recent experiment. In the first variant, designated PSECS-1B, the two target electrons are treated ab initio while the interaction of the incident-scattered electron is taken into account using the first term of the Born series. In the second, PSECS-2BCD, the second Born term is introduced…
High precision radio-frequency, microwave and infrared spectroscopic measurements of the antihydrogen molecular ion $\bar{H}_{2}^{-}$ ($\bar{p}\bar{p}e^{+}$) compared with its normal matter counterpart provide direct tests of the CPT theorem. The sensitivity to a difference between the positron/antiproton and electron/proton mass ratios, and to a difference between the positron-antiproton and electron-proton hyperfine interactions, can exceed that obtained by comparing antihydrogen with hydrogen by several orders of magnitude. Practical schemes are outlined for measurements on a single $\bar{H…
The nuclear polarization of $\mathrm{H}_2$ molecules formed by recombination of nuclear polarized H atoms on the surface of a storage cell initially coated with a silicon-based polymer has been measured by using the longitudinal double-spin asymmetry in deep-inelastic positron-proton scattering. The molecules are found to have a substantial nuclear polarization, which is evidence that initially polarized atoms retain their nuclear polarization when absorbed on this type of surface
Resonant electron-positron pair production by a high-energy gamma quantum in the field of a nucleus and a quasi-monochromatic laser wave was theoretically studied. Under the resonant condition an intermediate virtual electron (positron) in the laser field becomes a real particle. Due to that fact the initial process of the second order in the fine structure constant in a laser field effectively reduces into two successive processes of the first order: the laser-stimulated Breit-Wheeler process and the laser-assisted process of an intermediate electron (positron) scattering by a nucleus. It is …
We have completed the calculation of pure-recoil corrections of order $(Z α)^6$ to Coulombic bound states of two spin-1/2 fermions without approximation in the particle masses. Our result applies to systems of arbitrary mass ratio such as muonium and positronium, and also hydrogen and muonic hydrogen (with the neglect of proton structure effects). We have shown how the two-loop master integrals that occur in the relativistic region can be computed in analytic form, and suggest that the same method can be applied to the three-loop integrals that would be present in a calculation of order $(Z α)…
A simple locally accurate uniform approximation for the nodeless wavefunction is constructed for a {\it neutral} system of two Coulomb charges of different masses $(-q,m_1)$ and $(q,m_2)$ at rest in a constant uniform magnetic field for the states of positive and negative parity, ${(1s_0)}$ and ${(2p_0)}$, respectively. It is shown that by keeping the mass and charge of one of the bodies fixed, all systems with different second body masses are related. This allows one to consider the second body as infinitely-massive and to take such a system as basic. Three physical systems are considered in …
We evaluate the interaction potential between a hydrogen and an antihydrogen using the second-order perturbation theory within the framework of the four-body system in a separable two-body basis. We find that the H-Hbar interaction potential possesses the peculiar features of a shallow local minimum located around interatomic separations of r ~ 6 a.u. and a barrier rising at r~5 a.u. Additional theoretical and experimental investigations on the nature of these peculiar features will be of great interest.
This paper continues the analysis of bound quantum systems started in (T. Yarman, A.L. Kholmetskii and O.V. Missevitch. Going from classical to quantum description of bound charged particles. Part 1: basic concepts and assertions), based on a novel approach, involving the requirement of energy-momentum conservation for the bound electromagnetic (EM) field, when the EM radiation is forbidden. It has been shown that the modified expression for the energy levels of hydrogenic atoms within such a pure bound field theory (PBFT) provides the same gross and fine structure of energy levels, like in th…
The formulation of a suitable nonlocal model potential for electron exchange is presented, checked with electron-hydrogen and electron-helium scattering, and applied to the study of elastic and inelastic scattering and ionization of ortho positronium (Ps) by helium. The elastic scattering and the $n = 2$ excitations of Ps are investigated using a three-Ps-state close-coupling approximation. The higher ($n\ge 3$) excitations and ionization of Ps atom are treated in the framework of Born approximation with present exchange. Calculations are reported of phase shifts, and elastic, Ps-excitation, a…
