Advanced Grid programming with components: a biometric identification case study

Component-oriented software development has been attracting increasing attention for building complex distributed applications. A new infrastructure supporting this advanced concept is our prototype component framework based on the Grid component model. This paper provides an overview of the component framework and presents a case study where we utilise the component-oriented approach to develop a business process application for a biometric identification system. We then introduce the tools being developed as part of an integrated development environment to enable graphical component-based development of Grid applications. Finally, we report our initial findings and experiences of efficiently using the component framework and set of software tools

Plasmon-assisted electron-electron collisions at metallic surfaces

We present a theoretical treatment for the ejection of a secondary electron from a clean metallic surface induced by the impact of a fast primary electron. Assuming a direct scattering between the incident, primary electron and the electron in a metal, we calculate the electron-pair energy distributions at the surfaces of Al and Be. Different models for the screening of the electron-electron interaction are examined and the footprints of the surface and the bulk plasmon modes are determined and analyzed. The formulated theoretical approach is compared with the available experimental data on the electron-pair emission from Al.Comment: 30 pages, 9 figure

Quasiparticle properties in a density functional framework

We propose a framework to construct the ground-state energy and density matrix of an N-electron system by solving selfconsistently a set of single-particle equations. The method can be viewed as a non-trivial extension of the Kohn-Sham scheme (which is embedded as a special case). It is based on separating the Green's function into a quasi-particle part and a background part, and expressing only the background part as a functional of the density matrix. The calculated single-particle energies and wave functions have a clear physical interpretation as quasiparticle energies and orbitals.Comment: 12 pages, 1 figure, to be published in Phys. Rev.

Microscopics of meson degrees of freedom in nucleons and mesons in nuclei - what can be seen in the process of quasielastic knockout of mesons by high-energy electrons

Developed earlier concept of quasielastic knock out of pions from nucleons by high-energy electrons is propounded as a tool for checking microscopical model ($^3P_0$ - fluctuation) for decay of N to different channels $\pi+B$ and Preparata model of nucleus structure.Comment: 6 pages, 5 figures, Talk given at 16 Baldin Symposium in June 200

Revised Academic Hardiness Scale Factor Structure in College Students

The construct of academic hardiness has gained attention in recent literature as an antecedent of successful academic performance and enrollment in higher education. Although academic hardiness scales have been validated for use with elementary and high school students, none have been examined in college students. The current study investigated the factor structure of the Revised Academic Hardiness Scale using two college student samples. Exploratory analyses found a five-factor structure in a sample of 454 students at a large university. Confirmatory analyses indicated adequate to good model fit for this solution in a sample of 160 students at a small college

Ionization of pyridine: interplay of orbital relaxation and electron correlation

The valence shell ionization spectrum of pyridine was studied using the third-order algebraic-diagrammatic construction approximation scheme for the one-particle Green’s function and the outer-valence Green’s function method. The results were used to interpret angle resolved photoelectron spectra recorded with synchrotron radiation in the photon energy range of 17–120 eV. The lowest four states of the pyridine radical cation, namely, 2A2 (1a 2 −1 1a2−1 ), 2A1(7a 1 −1 7a1−1), 2B1(2b 1 −1 2b1−1), and 2B2(5b 2 −1 5b2−1), were studied in detail using various high-level electronic structure calculation methods. The vertical ionization energies were established using the equation-of-motion coupled-cluster approach with single, double, and triple excitations (EOM-IP-CCSDT) and the complete basis set extrapolation technique. Further interpretation of the electronic structure results was accomplished using Dyson orbitals, electron density difference plots, and a second-order perturbation theory treatment for the relaxation energy. Strong orbital relaxation and electron correlation effects were shown to accompany ionization of the 7a1 orbital, which formally represents the nonbonding σ-type nitrogen lone-pair (nσ) orbital. The theoretical work establishes the important roles of the π-system (π-π* excitations) in the screening of the nσ-hole and of the relaxation of the molecular orbitals in the formation of the 7a1(nσ)−1 state. Equilibrium geometric parameters were computed using the MP2 (second-order Møller-Plesset perturbation theory) and CCSD methods, and the harmonic vibrational frequencies were obtained at the MP2 level of theory for the lowest three cation states. The results were used to estimate the adiabatic 0-0 ionization energies, which were then compared to the available experimental and theoretical data. Photoelectron anisotropy parameters and photoionization partial cross sections, derived from the experimental spectra, were compared to predictions obtained with the continuum multiple scattering approach

A quasi classical approach to electron impact ionization

A quasi classical approximation to quantum mechanical scattering in the Moeller formalism is developed. While keeping the numerical advantage of a standard Classical--Trajectory--Monte--Carlo calculation, our approach is no longer restricted to use stationary initial distributions. This allows one to improve the results by using better suited initial phase space distributions than the microcanonical one and to gain insight into the collision mechanism by studying the influence of different initial distributions on the cross section. A comprehensive account of results for single, double and triple differential cross sections for atomic hydrogen will be given, in comparison with experiment and other theories.Comment: 21 pages, 10 figures, submitted to J Phys

(e,2e) Measurements on Xenon: Reexamination of the Fine-Structure Effect

The process of electron scattering from heavy target atoms is of considerable interest due to the enhanced role of relativistic effects and distortion of the electron trajectories resulting from the large value of nuclear charge. Here we present (e,2e) ionization measurements and distorted-wave Born approximation calculations for the scattering of spin-polarized electrons from xenon atoms in which the fine-structure levels of the residual ion are resolved. Comparison of measurements performed using a high-sensitivity toroidal analyzer spectrometer with the predictions of sophisticated calculations provide an improved understanding of the ionization dynamics of heavy target atoms and the treatment of electron exchange processes