A time-dependent coupled-channel approach was used to calculate ionization, excitation, and energy-loss cross sections as well as energy spectra for antiproton and proton collisions with molecular hydrogen for impact energies 8 keV < E < 4000 keV.
Ionization and excitation cross sections as well as electron-energy spectra and stopping powers of the alkali metal atoms Li, Na, K, and Rb colliding with antiprotons were calculated using a time-dependent channel-coupling approach. An impact-energy range from 0.25 keV to 4000 keV was considered. The target atoms are treated as effective one-electron systems using a model potential. The results are compared with calculated cross sections for antiproton-hydrogen atom collisions.
The stopping power of antiprotons in atomic and molecular hydrogen as well as helium was calculated in an impact-energy range from 1 keV to 6.4 MeV. In the case of H2 and He the targets were described with a single-active electron model centered on the target. The collision process was treated with the close-coupling formulation of the impact-parameter method. An extensive comparison of the present results with theoretical and experimental literature data was performed in order to evaluate which of the partly disagreeing theoretical and experimental data are most reliable. Furthermore, the siz…
A new relativistic method based on the Dirac equation for calculating fully differential cross sections for ionization in ion-atom collisions is developed. The method is applied to ionization of the atomic hydrogen by antiproton impact, as a non-relativistic benchmark. The fully differential, as well as various doubly and singly differential cross sections for ionization are presented. The role of the interaction between the projectile and the target nucleus is discussed. Several discrepancies in available theoretical predictions are resolved. The relativistic effects are studied for ionizatio…
We present total cross sections for single and double ionization of helium by antiproton impact over a wide range of impact energies from 10 keV/amu to 1 MeV/amu. A non-perturbative time-dependent close-coupling method (TDCC) is applied to fully treat the correlated dynamics of the ionized electrons. Excellent agreement is obtained between our calculations and experimental measurements of total single and double ionization cross sections at high impact energies, whereas for lower impact energies, some discrepancies with experiment are found. At an impact energy of 1 MeV we also find that the d…
We study the ionization process involving antiproton and hydrogen in the energy range between 0.1 keV to 500 keV, using single center close coupling approximation. We construct the scattering wave function using B-spline bases. The results obtained for ionization of atomic hydrogen are compared with other existing theoretical calculations as well as with the available experimental data. The present results are found to be encouraging. We also employed this method to study the ionization of ionized helium in the energy range between 1 and 500 keV. On comparision, the present results are found t…
We studied nonrelativistic collision of antiproton with hydrogen atom by solving time-dependent Schrodinger equation numerically. Coulomb wave function discrete variable method (CWDVR) had been used to calculate electron wave function evolution, while projectile defined classically, moving along the straight line trajectories with constant velocity. The ionization amplitude calculated by projection of the wave function into continuum wave function of the hydrogen electron. The fully differential cross sections calculated depending on projectile impact energy, scattering angle and electron ejec…
Total ionization cross sections of H, He, Li, Be, B, C, N, O, F, Ne, P, S and Ar neutral atoms by impact of antiprotons, H^{+}, He^{2+}, Be^{4+}, % C^{6+} and O^{8+}. were calculated using the CDWEIS (continuum distorted wave -Eikonal Initial state) theoretical method. Cross section depending on of initial the quantum numbers n and l are reported in Tables for a range of impact energies covering from 100 keV/amu to 10 MeV/amu
Total cross sections for single ionization and excitation of molecular hydrogen by antiproton impact are presented over a wide range of impact energy from 1 keV to 6.5 MeV. A nonpertubative time-dependent close-coupling method is applied to fully treat the correlated dynamics of the electrons. Good agreement is obtained between the present calculations and experimental measurements of single-ionization cross sections at high energies, whereas some discrepancies with the experiment are found around the maximum. The importance of the molecular geometry and a full two-electron description is demo…
In this work we propose a non-perturbative approximation to the electronic stopping power based on the central screened potential of a projectile moving in a free electron gas, by Nagy and Apagyi. We used this model to evaluate the energy loss of protons and antiprotons in ten solid targets: Cr, C, Ni, Be, Ti, Si, Al, Ge, Pb, Li and Rb. They were chosen as canonicals because they have reliable values of the Seitz radio, rS=1.48-5.31 a.u., which cover most of the possible metallic solids. Present low velocity results agree well with the experimental data for both proton and antiproton impact. O…
We theoretically investigate the single and double ionization of the He atom by antiproton impact for projectile energies ranging from $3$~keV up to $1000$~keV. We obtain accurate total cross sections by directly solving the fully correlated two-electron time-dependent Schrödinger equation and by performing classical trajectory Monte-Carlo calculations. The obtained quantum-mechanical results are in excellent agreement with the available experimental data. Along with the total cross sections, we also present the first fully \textit{ab initio} doubly differential data for single ionization at 1…
Presented here is a description of the ionization of hydrogen and hydrogenic ions by antiproton-impact, based on very large scale numerical solutions of the time-dependent Schrödinger equation in three spatial dimensions and on analysis of the topology of the electronic eigenenergy surfaces in the plane of complex internuclear distance. Comparison is made with other theories and very recent measurements.
Time-dependent close-coupling calculations of the ionization and excitation cross section for antiproton collisions with molecular hydrogen ions are performed in an impact-energy range from 0.5 keV to 10 MeV. The Born-Oppenheimer and Franck-Condon approximations as well as the impact parameter method are applied in order to describe the target molecule and the collision process. It is shown that three perpendicular orientations of the molecular axis with respect to the trajectory are sufficient to accurately reproduce the ionization cross section calculated by [Sakimoto, Phys. Rev. A 71, 06270…
The three-body dynamics of the ionization of the atomic hydrogen by 30 keV antiproton impact has been investigated by calculation of fully differential cross sections (FDCS) using the classical trajectory Monte Carlo (CTMC) method. The results of the calculations are compared with the predictions of quantum mechanical descriptions: The semi-classical time-dependent close-coupling theory, the fully quantal, time-independent close-coupling theory, and the continuum-distorted-wave-eikonal-initial-state model. In the analysis particular emphasis was put on the role of the nucleus-nucleus (NN) inte…
Theoretical antiproton and proton cross sections for ionization and excitation of hydrogen molecules as well as energy spectra of the ionized electrons were calculated in the impact-energy range from 8 to 4000 keV. The cross sections were computed with the close-coupling formulation of the semi-classical impact-parameter method. The target was described using a one-active electron model centered on the target and assuming a fixed internuclear distance during the collision process. The dependence of the ionization cross sections on the internuclear distance is examined. The present cross sectio…
We revisit recent developments in the theoretical foundations of time-dependent density functional theory (TDDFT). TDDFT is then applied to the calculation of total cross sections for ionization processes in the antiproton-Helium collision system. The Kohn-Sham potential is approximated as the sum of the Hartree-exchange potential and a correlation potential that was proposed in the context of laser-induced ionization. Furthermore, some approaches to the problem of calculating the ionization probabilities from the density are discussed. Small projectile energies below 5keV are considered as we…
The applicability of the Benford law for different data sets of atomic cross sections by ion impact is studied. We find that the data sets corresponding to theoretical ionization and capture cross sections of neutral targets by multicharged ions satisfy quite well the Benford law, not only for the first digits but also within a given order of magnitude. Experimental stopping power values from the International Atomic Energy Agency database were also scrutinized, but in this case the Benford conformity was not so satisfactory due to its small rank width. In all cases, errors, densities of prime…
We present a fully {\it ab initio}, non-perturbative, time-dependent approach to describe single and double ionization of helium by proton and antiproton impact. A flexible and accurate finite-element discrete-variable-representation is applied to discretize the problem on the radial grid in spherical coordinates. Good agreement with the most recent experimental data for absolute angle-integrated cross sections is obtained over a wide range of incident projectile energies between 3 keV and 6 MeV. Furthermore, angle-differential cross sections for two-electron ejection are predicted for a proto…
Nonrelativistic collision of proton and antiproton with hydrogen atom described by solving time-dependent Schrodinger equation numerically. Coulomb wave function discrete variable method (CWDVR) had been used to calculate electron wave function evolution, while projectile defined classically, moving along the straight line trajectories with constant velocity. The ionization amplitude calculated by projection of the wave function into continuum wave function of the hydrogen electron. The differential cross sections calculated depending on projectile impact energy, scattering angle and electron …
Single-electron ionization and excitation cross sections as well as cross sections for excitation into the first excited p state of the alkali metal atoms Li(2s), Na(3s) and K(4s) colliding with antiprotons and protons were calculated using a time-dependent channel-coupling approach. For antiprotons an impact-energy range from 0.25 to 1000 keV and for protons from 2 to 1000 keV was considered. The target atoms are treated as effective one-electron systems using a model potential. The results are compared with theoretical and experimental data from literature and calculated cross sections for a…
In this chapter we analyze the multiple ionization by impact of |Z|=1 projectiles: electrons, positrons, protons and antiprotons. Differences and similarities among the cross sections by these four projectiles allows us to have an insight on the physics involved. Mass and charge effects, energy thresholds, and relative importance of collisional and post-collisional processes are discussed. For this purpose, we performed a detailed theoretical-experimental comparison for single up to quintuple ionization of Ne, Ar, Kr and Xe by particles and antiparticles. We include an extensive compilation of…
Energy loss in collisions of charged projectiles with many-electron systems can be dealt with in time-dependent density functional theory by invoking Ehrenfest's theorem for the time evolution of expectation values of observables. We derive an exact expression for the evaluation of energy loss for systems described in a target reference frame, which is a functional of the electron density. Using an approximation scheme we then apply the expression to antiproton-atom collisions at intermediate and high energies within the framework of the basis generator method. The calculations are performed w…