Generation of Intrinsic Vibrational Gap Modes in Three-Dimensional Ionic Crystals

The existence of anharmonic localization of lattice vibrations in a perfect 3-D diatomic ionic crystal is established for the rigid-ion model by molecular dynamics simulations. For a realistic set of NaI potential parameters, an intrinsic localized gap mode vibrating in the [111] direction is observed for fcc and zinc blende lattices. An axial elastic distortion is an integral feature of this mode which forms more readily for the zinc blende than for the fcc structure. Molecular dynamics simulations verify that in each structure this localized mode may be stable for at least 200 cycles.Comment: 5 pages, 4 figures, RevTeX, using epsf.sty. To be published in Phys. Rev. B. Also available at http://www.msc.cornell.edu/~kiselev

The importance of initial-final state correlations for the formation of fragments in heavy ion collisions

Using quantum molecular dynamics simulations, we investigate the formation of fragments in symmetric reactions between beam energies of E=30AMeV and 600AMeV. After a comparison with existing data we investigate some observables relevant to tackle equilibration: dsigma/dErat, the double differential cross section dsigma/pt.dpz.dpt,... Apart maybe from very energetic E>400AMeV and very central reactions, none of our simulations gives evidence that the system passes through a state of equilibrium. Later, we address the production mechanisms and find that, whatever the energy, nucleons finally entrained in a fragment exhibit strong initial-final state correlations, in coordinate as well as in momentum space. At high energy those correlations resemble the ones obtained in the participant-spectator model. At low energy the correlations are equally strong, but more complicated; they are a consequence of the Pauli blocking of the nucleon-nucleon collisions, the geometry, and the excitation energy. Studying a second set of time-dependent variables (radii, densities,...), we investigate in details how those correlations survive the reaction especially in central reactions where the nucleons have to pass through the whole system. It appears that some fragments are made of nucleons which were initially correlated, whereas others are formed by nucleons scattered during the reaction into the vicinity of a group of previously correlated nucleons.Comment: 45 pages text + 20 postscript figures Accepted for publication in Physical Review

Ab initio Hartree-Fock Born effective charges of LiH, LiF, LiCl, NaF, and NaCl

We use the Berry-phase-based theory of macroscopic polarization of dielectric crystals formulated in terms of Wannier functions, and state-of-the-art Gaussian basis functions, to obtain benchmark ab initio Hartree-Fock values of the Born effective charges of ionic compounds LiH, LiF, LiCl, NaF, and NaCl. We find excellent agreement with the experimental values for all the compounds except LiCl and NaCl, for which the disagreement with the experiments is close to 10% and 16%, respectively. This may imply the importance of many-body effects in those systems.Comment: 11 pages, Revtex, 2 figures (included), to appear in Phys. Rev. B April 15, 200

Dynamical Properties and Plasmon Dispersion of a Weakly Degenerate Correlated One-Component Plasma

Classical Molecular Dynamics (MD) simulations for a one-component plasma (OCP) are presented. Quantum effects are included in the form of the Kelbg potential. Results for the dynamical structure factor are compared with the Vlasov and RPA (random phase approximation) theories. The influence of the coupling parameter $\Gamma$, degeneracy parameter $\rho \Lambda^3$ and the form of the pair interaction on the optical plasmon dispersion is investigated. An improved analytical approximation for the dispersion of Langmuir waves is presented.Comment: 23 pages, includes 7 ps/eps-figures and 2 table

Measurement of the electron electric dipole moment using YbF molecules

The most sensitive measurements of the electron electric dipole moment d_e have previously been made using heavy atoms. Heavy polar molecules offer a greater sensitivity to d_e because the interaction energy to be measured is typically 10^3 times larger than in a heavy atom. We report the first measurement of this kind, for which we have used the molecule YbF. Together, the large interaction energy and the strong tensor polarizability of the molecule make our experiment essentially free of the systematic errors that currently limit d_e measurements in atoms. Our first result d_e = (- 0.2 \pm 3.2) x 10^-26 e.cm is less sensitive than the best atom measurement, but is limited only by counting statistics and demonstrates the power of the method.Comment: 4 pages, 4 figures. v2. Minor corrections and clarifications made in response to referee comment

Quantum gates with topological phases

We investigate two models for performing topological quantum gates with the Aharonov-Bohm (AB) and Aharonov-Casher (AC) effects. Topological one- and two-qubit Abelian phases can be enacted with the AB effect using charge qubits, whereas the AC effect can be used to perform all single-qubit gates (Abelian and non-Abelian) for spin qubits. Possible experimental setups suitable for a solid state implementation are briefly discussed.Comment: 2 figures, RevTex

Accounting students' IT applicaton skills over a 10-year period

This paper reports on the changing nature of a range of information technology (IT) application skills that students declare on entering an accounting degree over the period from 1996 to 2006. Accounting educators need to be aware of the IT skills students bring with them to university because of the implications this has for learning and teaching within the discipline and the importance of both general and specific IT skills within the practice and craft of accounting. Additionally, IT skills constitute a significant element within the portfolio of employability skills that are increasingly demanded by employers and emphasized within the overall Higher Education (HE) agenda. The analysis of students' reported IT application skills on entry to university, across a range of the most relevant areas of IT use in accounting, suggest that their skills have continued to improve over time. However, there are significant differential patterns of change through the years and within cohorts. The paper addresses the generalizability of these findings and discusses the implications of these factors for accounting educators, including the importance of recognising the differences that are potentially masked by the general increase in skills; the need for further research into the changing nature, and implications, of the gender gap in entrants' IT application skills; and the low levels of entrants' spreadsheet and database skills that are a cause for concern

Landau Analog Levels for Dipoles in the Noncommutative Space and Phase Space

In the present contribution we investigate the Landau analog energy quantization for neutral particles, that possesses a nonzero permanent magnetic and electric dipole moments, in the presence of an homogeneous electric and magnetic external fields in the context of the noncommutative quantum mechanics. Also, we analyze the Landau--Aharonov--Casher and Landau--He--McKellar--Wilkens quantization due to noncommutative quantum dynamics of magnetic and electric dipoles in the presence of an external electric and magnetic fields and the energy spectrum and the eigenfunctions are obtained. Furthermore, we have analyzed Landau quantization analogs in the noncommutative phase space, and we obtain also the energy spectrum and the eigenfunctions in this context.Comment: 20 pages, references adde

Maxwell Duality, Lorentz Invariance, and Topological Phase

We discuss the Maxwell electromagnetic duality relations between the Aharonov-Bohm, Aharonov-Casher, and He-McKellar-Wilkens topological phases, which allows a unified description of all three phenomena. We also elucidate Lorentz transformations that allow these effects to be understood in an intuitive fashion in the rest frame of the moving quantum particle. Finally, we propose two experimental schemes for measuring the He-McKellar-Wilkens phase.Comment: 10 pages, 2 figure