The near-edge structure in energy-loss spectroscopy: many-electron and magnetic effects in transition metal nitrides and carbides

We investigate the ability of the local density approximation (LDA) in density functional theory to predict the near-edge structure in electron energy-loss spectroscopy in the dipole approximation. We include screening of the core hole within the LDA using Slater's transition state theory. We find that anion K-edge threshold energies are systematically overestimated by 4.22 +/- 0.44 eV in twelve transition metal carbides and nitrides in the rock-salt (B1) structure. When we apply this 'universal' many-electron correction to energy-loss spectra calculated within the transition state approximation to LDA, we find quantitative agreement with experiment to within one or two eV for TiC, TiN and VN. We compare our calculations to a simpler approach using a projected Mulliken density which honours the dipole selection rule, in place of the dipole matrix element itself. We find remarkably close agreement between these two approaches. Finally, we show an anomaly in the near-edge structure in CrN to be due to magnetic structure. In particular, we find that the N K edge in fact probes the magnetic moments and alignments of ther sublattice.

Many-body entanglement in decoherence processes

A pure state decoheres into a mixed state as it entangles with an environment. When an entangled two-mode system is embedded in a thermal environment, however, each mode may not be entangled with its environment by their simple linear interaction. We consider an exactly solvable model to study the dynamics of a total system, which is composed of an entangled two-mode system and a thermal environment. The Markovian interaction with the environment is concerned with an array of infinite number of beam splitters. It is shown that many-body entanglement of the system and the environment may play a crucial role in the process of disentangling the system.

Electron recombination with multicharged ions via chaotic many-electron states

We show that a dense spectrum of chaotic multiply excited eigenstates can play a major role in collision processes involving many-electron multicharged ions. A statistical theory based on chaotic properties of the eigenstates enables one to obtain relevant energy-averaged cross sections in terms of sums over single-electron orbitals. Our calculation of low-energy electron recombination of Au25+ shows that the resonant process is 200 times more intense than direct radiative recombination, which explains the recent experimental results of Hoffknecht [J. Phys. B 31, 2415 (1998)].

Many-body theory of positron-atom interactions

A many-body theory approach is developed for the problem of positron-atom scattering and annihilation. Strong electron- positron correlations are included nonperturbatively 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 convergence of the sums over intermediate states. We have also devised an extrapolation procedure that allows one to achieve convergence with respect to the number of intermediate- state orbital angular momenta included in the calculations. As a test, the present formalism is applied to positron scattering and annihilation on hydrogen, where it is exact. Our results agree with those of accurate variational calculations. We also examine in detail the properties of the large correlation corrections to the annihilation vertex.

Independent particle descriptions of tunneling using the many-body quantum transport approach

Currents across thin insulators are commonly taken as single electrons moving across classically forbidden regions; this independent particle picture is well-known to describe most tunneling phenomena. Examining quantum transport from a different perspective, i.e., by explicit treatment of electron-electron interactions, we evaluate different single particle approximations with specific application to tunneling in metal-molecule-metal junctions. We find maximizing the overlap of a Slater determinant composed of single-particle states to the many-body current-carrying state is more important than energy minimization for defining single-particle approximations in a system with open boundary conditions. Thus the most suitable single particle effective potential is not one commonly in use by electronic structure methods, such as the Hartree-Fock or Kohn-Sham approximations.

Many ways to say 'no', different ways to say 'yes': Applying Q-Methodology to understand public acceptance of wind farm proposals

This paper explores the nature of public acceptance of wind farms by investigating the discourses of support and objection to a proposed offshore scheme. It reviews research into opposition to wind farms, noting previous criticisms that this has tended to provide descriptive rather than explanatory insights and as a result, has not effectively informed the policy debate. One explanation is that much of this research has been conceived within an unreflective positivist research frame, which is inadequate in dealing with the subjectivity and value-basis of public acceptance of wind farm development. The paper then takes a case study of an offshore wind farm proposal in Northern Ireland and applies Q-Methodology to identify the dominant discourse of support and objection. It is argued that this provides new insights into the nature of wind farm conflicts, points to a number or recommendations for policy functions of an example of how this methodology can act as a potential bridge between positivist and post-positivist approaches to policy analysis.

How many processes underline category-based induction? Effect of conclusion specificity and cognitive ability

Two studies investigated participants' sensitivity to the amount and diversity of the evidence when reasoning inductively about categories. Both showed that participants are more sensitive to characteristics of the evidence for arguments with general rather than specific conclusions. Both showed an association between cognitive ability and sensitivity to these evidence characteristics, particularly when the conclusion category was general. These results suggest that a simple associative process may not be sufficient to capture some key phenomena of category-based induction. They also support the claim that the need to generate a superordinate category is a complicating factor in category-based reasoning and that adults' tendency to generate such categories while reasoning has been overestimated.