Density Functional Calculations On First-Row Transition Metals

The excitation energies and ionization potentials of the atoms in the first transition series are notoriously difficult to compute accurately. Errors in calculated excitation energies can range from 1--4 eV at the Hartree-Fock level, and errors as high as 1.5eV are encountered for ionization energies. In the current work we present and discuss the results of a systematic study of the first transition series using a spin-restricted Kohn-Sham density-functional method with the gradient-corrected functionals of Becke and Lee, Yang and Parr. Ionization energies are observed to be in good agreement with experiment, with a mean absolute error of approximately 0.15eV; these results are comparable to the most accurate calculations to date, the Quadratic Configuration Interaction (QCISD(T)) calculations of Raghavachari and Trucks. Excitation energies are calculated with a mean error of approximately 0.5eV, compared with \sim 1\mbox{eV} for the local density approximation and 0.1eV for QCISD(T). These gradient-corrected functionals appear to offer an attractive compromise between accuracy and computational effort.Comment: Journal of Chemical Physics, 29, LA-UR-93-425

Asia-Pacific food markets and trade in 2005: a global, economy-wide perspective

Rapid industrialization in East Asia, particularly China, is raising questions about who will feed the region in the next century and how Asia will be able to pay for its food imports. The paper ®rst reviews existing food sector projections and then takes an economy-wide perspective using projections to 2005, based on the global CGE model known as GTAP. After showing the impact of implementing the Uruguay Round, the paper explores several alternative scenarios. A slowdown in farm productivity growth is shown to be costly to the world economy, as is slower economic growth in China. Failure to honour Uruguay Round obligations to open textile and clothing markets in OECD countries would reduce East Asia's industrialization and thereby slow its net imports of food. On the other hand, the trade reform that is likely to accompany China's (and hence Taiwan's) member- ship of the World Trade Organization (WTO) adds 30 per cent to estimated global gains from the Uruguay Round. Their WTO accession is projected to boost exports of manufactures and strengthen food import demand by not only China but also its densely populated neighbours with whom it trades intensively.International Relations/Trade,

Propagating phonons coupled to an artificial atom

Quantum information can be stored in micromechanical resonators, encoded as quanta of vibration known as phonons. The vibrational motion is then restricted to the stationary eigenmodes of the resonator, which thus serves as local storage for phonons. In contrast, we couple propagating phonons to an artificial atom in the quantum regime, and reproduce findings from quantum optics with sound taking over the role of light. Our results highlight the similarities between phonons and photons, but also point to new opportunities arising from the unique features of quantum mechanical sound. The low propagation speed of phonons should enable new dynamic schemes for processing quantum information, and the short wavelength allows regimes of atomic physics to be explored which cannot be reached in photonic systems.Comment: 30 pages, 6 figures, 1 tabl

Coherent probing of excited quantum dot states in an interferometer

Measurements of elastic and inelastic cotunneling currents are presented on a two-terminal Aharonov--Bohm interferometer with a Coulomb blockaded quantum dot embedded in each arm. Coherent current contributions, even in magnetic field, are found in the nonlinear regime of inelastic cotunneling at finite bias voltage. The phase of the Aharonov--Bohm oscillations in the current exhibits phase jumps of $\pi$ at the onsets of inelastic processes. We suggest that additional coherent elastic processes occur via the excited state. Our measurement technique allows the detection of such processes on a background of other inelastic current contributions and contains information about the excited state occupation probability and the inelastic relaxation rates

Transport properties of a quantum wire: the role of extended time-dependent impurities

We study the transport properties of a quantum wire, described by the Tomonaga-Luttinger model, in the presence of a backscattering potential provided by several extended time-dependent impurities (barriers). Employing the B\" uttiker-Landauer approach, we first consider the scattering of noninteracting electrons ($g=1$) by a rectangular-like barrier and find an exact solution for the backscattering current, as well as a perturbative solution for a weak static potential with an arbitrary shape. We then include electron-electron interactions and use the Keldysh formalism combined with the bosonization technique to study oscillating extended barriers. We show that the backscattering current off time-dependent impurities can be expressed in terms of the current for the corresponding static barrier. Then we determine the backscattering current for a static extended potential, which, in the limit of noninteracting electrons ($g=1$), coincides with the result obtained using the B\" uttiker-Landauer formalism. In particular, we find that the conductance can be increased beyond its quantized value in the whole range of repulsive interactions $0<g<1$ already in the case of a single oscillating extended impurity, in contrast %contrary to the case of a point-like impurity, where this phenomenon occurs only for $0<g<1/2$.Comment: 9 pages, 5 figure

Pion Photoproduction Amplitude Relations in the 1/N_c Expansion

We derive expressions for pion photoproduction amplitudes in the 1/N_c expansion of QCD, and obtain linear relations directly from this expansion that relate electromagnetic multipole amplitudes at all energies. The leading-order relations in 1/N_c compare favorably with available data, while the next-to-leading order relations seem to provide only a small improvement. However, when resonance parameters are compared directly, the agreement at O(1/N_c) or O(1/N_c^2) is impressive.Comment: 19 pages, ReVTeX, 50 eps files combine into 5 compound figure

Quantum dot nonlinearity through cavity-enhanced feedback with a charge memory

In an oxide apertured quantum dot (QD) micropillar cavity-QED system, we found strong QD hysteresis effects and lineshape modifications even at very low intensities corresponding to less than 0.001 intracavity photons. We attribute this to the excitation of charges by the intracavity field; charges that get trapped at the oxide aperture, where they screen the internal electric field and blueshift the QD transition. This in turn strongly modulates light absorption by cavity QED effects, eventually leading to the observed hysteresis and lineshape modifications. The cavity also enables us to observe the QD dynamics in real time, and all experimental data agrees well with a power-law charging model. This effect can serve as a novel tuning mechanism for quantum dots.Comment: 7 pages, 6 figure

Satellite radar altimetry over ice. Volume 1: Processing and corrections of Seasat data over Greenland

The data-processing methods and ice data products derived from Seasat radar altimeter measurements over the Greenland ice sheet and surrounding sea ice are documented. The corrections derived and applied to the Seasat radar altimeter data over ice are described in detail, including the editing and retracking algorithm to correct for height errors caused by lags in the automatic range tracking circuit. The methods for radial adjustment of the orbits and estimation of the slope-induced errors are given

Satellite radar altimetry over ice. Volume 4: Users' guide for Antarctica elevation data from Seasat

A gridded surface-elevation data set and a geo-referenced data base for the Seasat radar altimeter data over Greenland are described. This is a user guide to accompany the data provided to data centers and other users. The grid points are on a polar stereographic projection with a nominal spacing of 20 km. The gridded elevations are derived from the elevation data in the geo-referenced data base by a weighted fitting of a surface in the neighborhood of each grid point. The gridded elevations are useful for the creating of large-scale contour maps, and the geo-referenced data base is useful for regridding, creating smaller-scale contour maps, and examinating individual elevation measurements in specific geographic areas. Tape formats are described, and a FORTRAN program for reading the data tape is listed and provided on the tape

Seasonal and interannual variability of North American isoprene emissions as determined by formaldehyde column measurements from space

Formaldehyde (HCHO) columns measured from space by solar UV backscatter allow mapping of reactive hydrocarbon emissions. The principal contributor to these emissions during the growing season is the biogenic hydrocarbon isoprene, which is of great importance for driving regional and global tropospheric chemistry. We present seven years (1995-2001) of HCHO column data for North America from the Global Ozone Monitoring Experiment (GOME), and show that the general seasonal and interannual variability of these data is consistent with knowledge of isoprene emission. There are some significant regional discrepancies with the seasonal patterns predicted from current isoprene emission models, and we suggest that these may reflect flaws in the models. The interannual variability of HCHO columns observed by GOME appears to follow the interannual variability of surface temperature, as expected from current isoprene emission models