Effects of Pairing in the Pseudo-SU(3) Model

An extended version of the pseudo-SU(3) model which includes both spin and proton-neutron degrees of freedom is used to study the influence of the pairing interaction on K-band mixing, B(E2) values and quadrupole moments. Using the asymmetric rotor model as a backdrop, specific consequences of a many-particle shell-model based description of these collective properties are demonstrated and fundamental limits of the collective model's approach are investigated. Finally, the pseudo-SU(3) model, including representation mixing induced by pairing, is used to calculate the energies of 140Ce and the results are compared to experimental data and other theories.Comment: 21 pages, Latex, 11 figures available on request via mail or fax, accepted by Nucl. Phys.

Structure and play: rethinking regulation in the higher education sector

This paper explores possible tactics for academics working within a context of increasing regulation and constraint. One suggested tactic is to move outside of a creativity-conformity binary. Rather than understanding creativity and conformity as separable, where one is seen as excluding the other, the authors consider the potential of examining the relationships between them. The theme of 'structure and play' illustrates the argument. In the first part of the paper, using various examples from art and design - fields generally associated with creativity - the authors explore the interrelatedness of creativity and conformity. For example, how might design styles, which are generally understood as creative outcomes, constrain creativity and lead to conformity within the design field? Is fashion producing creativity or conformity? Conversely, the ways in which conformity provides the conditions for creativity are also examined. For example, the conformity imposed by the state on artists in the former communist bloc contributed to a thriving underground arts movement which challenged conformity and state regulation. Continuing the theme of 'structure and play', the authors recount a story from an Australian university which foregrounds the ongoing renegotiation of power relations in the academy. This account illustrates how programmatic government in a university, with its aim of regulating conduct, can contribute to unanticipated outcomes. The authors propose that a Foucauldian view of distributed power is useful for academics operating in a context of increasing regulation, as it brings into view sites where power might begin to be renegotiated

Chaos assisted tunnelling with cold atoms

In the context of quantum chaos, both theory and numerical analysis predict large fluctuations of the tunnelling transition probabilities when irregular dynamics is present at the classical level. We consider here the non-dissipative quantum evolution of cold atoms trapped in a time-dependent modulated periodic potential generated by two laser beams. We give some precise guidelines for the observation of chaos assisted tunnelling between invariant phase space structures paired by time-reversal symmetry.Comment: submitted to Phys. Rev. E ; 16 pages, 13 figures; figures of better quality can be found at http://www.phys.univ-tours.fr/~mouchet

First-principles extrapolation method for accurate CO adsorption energies on metal surfaces

We show that a simple first-principles correction based on the difference between the singlet-triplet CO excitation energy values obtained by DFT and high-level quantum chemistry methods yields accurate CO adsorption properties on a variety of metal surfaces. We demonstrate a linear relationship between the CO adsorption energy and the CO singlet-triplet splitting, similar to the linear dependence of CO adsorption energy on the energy of the CO 2$\pi$* orbital found recently {[Kresse {\em et al.}, Physical Review B {\bf 68}, 073401 (2003)]}. Converged DFT calculations underestimate the CO singlet-triplet excitation energy $\Delta E_{\rm S-T}$, whereas coupled-cluster and CI calculations reproduce the experimental $\Delta E_{\rm S-T}$. The dependence of $E_{\rm chem}$ on $\Delta E_{\rm S-T}$ is used to extrapolate $E_{\rm chem}$ for the top, bridge and hollow sites for the (100) and (111) surfaces of Pt, Rh, Pd and Cu to the values that correspond to the coupled-cluster and CI $\Delta E_{\rm S-T}$ value. The correction reproduces experimental adsorption site preference for all cases and obtains $E_{\rm chem}$ in excellent agreement with experimental results.Comment: Table sent as table1.eps. 3 figure

Interatomic potentials for atomistic simulations of the Ti-Al system

Semi-empirical interatomic potentials have been developed for Al, alpha-Ti, and gamma-TiAl within the embedded atomic method (EAM) by fitting to a large database of experimental as well as ab-initio data. The ab-initio calculations were performed by the linear augmented plane wave (LAPW) method within the density functional theory to obtain the equations of state for a number of crystal structures of the Ti-Al system. Some of the calculated LAPW energies were used for fitting the potentials while others for examining their quality. The potentials correctly predict the equilibrium crystal structures of the phases and accurately reproduce their basic lattice properties. The potentials are applied to calculate the energies of point defects, surfaces, planar faults in the equilibrium structures. Unlike earlier EAM potentials for the Ti-Al system, the proposed potentials provide reasonable description of the lattice thermal expansion, demonstrating their usefulness in the molecular dynamics or Monte Carlo studies at high temperatures. The energy along the tetragonal deformation path (Bain transformation) in gamma-TiAl calculated with the EAM potential is in a fairly good agreement with LAPW calculations. Equilibrium point defect concentrations in gamma-TiAl are studied using the EAM potential. It is found that antisite defects strongly dominate over vacancies at all compositions around stoichiometry, indicating that gamm-TiAl is an antisite disorder compound in agreement with experimental data.Comment: 46 pages, 6 figures (Physical Review B, in press

Signatures of chaotic tunnelling

Recent experiments with cold atoms provide a significant step toward a better understanding of tunnelling when irregular dynamics is present at the classical level. In this paper, we lay out numerical studies which shed light on the previous experiments, help to clarify the underlying physics and have the ambition to be guidelines for future experiments.Comment: 11 pages, 9 figures, submitted to Phys. Rev. E. Figures of better quality can be found at http://www.phys.univ-tours.fr/~mouchet

Unscreened Hartree-Fock calculations for metallic Fe, Co, Ni, and Cu from ab-initio Hamiltonians

Unscreened Hartree-Fock approximation (HFA) calculations for metallic Fe, Co, Ni, and Cu are presented, by using a quantum-chemical approach. We believe that these are the first HFA results to have been done for crystalline 3d transition metals. Our approach uses a linearized muffin-tin orbital calculation to determine Bloch functions for the Hartree one-particle Hamiltonian, and from these obtains maximally localized Wannier functions, using a method proposed by Marzari and Vanderbilt. Within this Wannier basis all relevant one-particle and two-particle Coulomb matrix elements are calculated. The resulting second-quantized multi-band Hamiltonian with ab-initio parameters is studied within the simplest many-body approximation, namely the unscreened, self-consistent HFA, which takes into account exact exchange and is free of self-interactions. Although the d-bands sit considerably lower within HFA than within the local (spin) density approximation L(S)DA, the exchange splitting and magnetic moments for ferromagnetic Fe, Co, and Ni are only slightly larger in HFA than what is obtained either experimentally or within LSDA. The HFA total energies are lower than the corresponding LSDA calculations. We believe that this same approach can be easily extended to include more sophisticated ab-initio many-body treatments of the electronic structure of solids.Comment: 11 papes, 7 figures, 5 table

Relativistic versus Nonrelativistic Optical Potentials in A(e,e'p)B Reactions

We investigate the role of relativistic and nonrelativistic optical potentials used in the analysis of ($e,e'p$) data. We find that the relativistic calculations produce smaller ($e,e'p$) cross sections even in the case in which both relativistic and nonrelativistic optical potentials fit equally well the elastic proton--nucleus scattering data. Compared to the nonrelativistic impulse approximation, this effect is due to a depletion in the nuclear interior of the relativistic nucleon current, which should be taken into account in the nonrelativistic treatment by a proper redefinition of the effective current operator.Comment: Added one new figure, the formalism section has been enlarged and the list of references updated. Added one appendix. This version will appear in Phys. Rev. C. Revtex 3.0, 6 figures (not included). Full postscript version of the file and figures available at http://www.nikhefk.nikhef.nl/projects/Theory/preprints

Event Reconstruction in the PHENIX Central Arm Spectrometers

The central arm spectrometers for the PHENIX experiment at the Relativistic Heavy Ion Collider have been designed for the optimization of particle identification in relativistic heavy ion collisions. The spectrometers present a challenging environment for event reconstruction due to a very high track multiplicity in a complicated, focusing, magnetic field. In order to meet this challenge, nine distinct detector types are integrated for charged particle tracking, momentum reconstruction, and particle identification. The techniques which have been developed for the task of event reconstruction are described.Comment: Accepted for publication in Nucl. Instrum. A. 34 pages, 23 figure