Positronium scattering by Ne, Ar, Kr and Xe in the frozen target approximation

A full-electron coupled-state treatment of positronium (Ps)- inert gas scattering is developed within the context of the frozen target approximation. Calculations are performed for Ps(Is) scattering by Ne and Ar in the impact energy range 0-40 eV using coupled pseudostate expansions consisting of nine and 22 Ps states. The purpose of the pseudostates is primarily to represent ionization of the Ps which is found to be a major process at the higher energies. First Born estimates of target excitation are used to complement the frozen target results. The available experimental data are discussed in detail. It is pointed out that the very low energy measurements (less than or equal to2 eV) correspond to the momentum transfer cross section sigma(mom) and not to the elastic cross section sigma(el). Calculation shows that sigma(mom), and sigma(el) diverge very rapidly with increasing energy and consequently comparisons of the low-energy data with ITel can be very misleading. Agreement between the calculations and the low-energy measurements of anion as well;as higher energy (greater than or equal to15 eV) beam measurements of the total cross section, is less than satisfactory. Results for Ps(1s) scattering by Kr and Xe in the static-exchange approximation are also presented.

Single ionization of helium by antiproton impact

We study the ionization of helium (fie) in collision with antiprotons (p) in the energy range from 10 keV to 1000 keV. We adopt a semiclassical single center close coupling approach in which the wave function for the electron is expanded in a B-spline basis centered on the nucleus of the He atom, The calculations are performed using two different models: the independent particle (IP) model and the one-electron (OE) approximation. The interaction between the active electron and the rest of the atom, i.e. passive electron and nucleus, is represented by a model potential. The results obtained are compared with experimental data as well as with existing theoretical calculations. (c) 2005 Published by Elsevier B.V.

Ionization energies of beryllium in strong magnetic fields: a frozen core approximation

An effective frozen core approximation has been developed and applied to the calculation of energy levels and ionization energies of the beryllium atom in magnetic field strengths up to 2.35 x 10(5) T. Systematic improvement over the existing results for the beryllium ground and low-lying states has been accomplished by taking into account most of the correlation effects in the four-electron system. To our knowledge, this is the first calculation of the electronic properties of the beryllium atom in a strong magnetic field carried out using a configuration interaction approximation and thus allowing a treatment beyond that of Hartree-Fock. Differing roles played by strong magnetic fields in intrashell correlation within different states are observed. In addition, possible ways to gain further improvement in the energies of the states of interest are proposed and discussed briefly.

Multi-state CDW approximation to electron capture during slow p-H collisions

The first complete multi-state CDW close coupling calculations which use a fully normalized basis set are performed. The results obtained at impact energies in the region of 10 keV for total and n = 2 capture cross sections are in reasonably good accord with experiment despite the fact that only the ground states of both species and the n = 2 states of the projectile are incorporated into the model. The theory has significant advantages over other atomic and molecular expansions which may require extensive bases to obtain similar accuracy.

Inelastic quantum transport in nanostructures: The self-consistent Born approximation and correlated electron-ion dynamics

A dynamical method for inelastic transport simulations in nanostructures is compared to a steady-state method based on nonequilibrium Green's functions. A simplified form of the dynamical method produces, in the steady state in the weak-coupling limit, effective self-energies analogous to those in the Born approximation due to electron-phonon coupling. The two methods are then compared numerically on a resonant system consisting of a linear trimer weakly embedded between metal electrodes. This system exhibits an enhanced heating at high biases and long phonon equilibration times. Despite the differences in their formulation, the static and dynamical methods capture local current-induced heating and inelastic corrections to the current with good agreement over a wide range of conditions, except in the limit of very high vibrational excitations where differences begin to emerge.