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A child, angry at concrete and strip malls, enjoying coffee from too many styrofoam cups

Ordered phases of potassium on Pt{111}: Experiment and theory

Using low-energy electron diffraction structural analysis and first-principles calculations based on the local-density approximation we have investigated the (√3×√3)R30° K and (2×2) K overlayers on Pt{111}. The measured and calculated adsorption geometries agree quantitatively. In both phases the K adatoms occupy threefold symmetric hcp hollow sites, the preference for the hcp site over the fcc site being a consequence of the polarization of the surface Pt d electrons. We have not found any indication of K incorporation into the Pt{111} surface, as has been recently suggested

Detecting circumbinary planets using eclipse timing of binary stars - numerical simulations

The presence of a body in an orbit around a close eclipsing binary star manifests itself through the light time effect influencing the observed times of eclipses as the close binary and the circumbinary companion both move around the common centre of mass. This fact combined with the periodicity with which the eclipses occur can be used to detect the companion. Given a sufficient precision of the times of eclipses, the eclipse timing can be employed to detect substellar or even planetary mass companions. The main goal of the paper is to investigate the potential of the photometry based eclipse timing of binary stars as a method of detecting circumbinary planets. In the models we assume that the companion orbits a binary star in a circular Keplerian orbit. We analyze both the space and ground based photometry cases. In particular, we study the usefulness of the on-going COROT and Kepler missions in detecting circumbinary planets. We also explore the relations binding the planet discovery space with the physical parameters of the binaries and the geometrical parameters of their light curves. We carry out detailed numerical simulations of the eclipse timing by employing a relatively realistic model of the light curves of eclipsing binary stars. We study the influence of the white and red photometric noises on the timing precision. We determine the sensitivity of the eclipse timing technique to circumbinary planets for the ground and space based photometric observations. We provide suggestions for the best targets, observing strategies and instruments for the eclipse timing method. Finally, we compare the eclipse timing as a planet detection method with the radial velocities and astrometry.Comment: 9 pages, 15 figures, accepted for publication in MNRA

Computing Heavy Elements

Reliable calculations of the structure of heavy elements are crucial to address fundamental science questions such as the origin of the elements in the universe. Applications relevant for energy production, medicine, or national security also rely on theoretical predictions of basic properties of atomic nuclei. Heavy elements are best described within the nuclear density functional theory (DFT) and its various extensions. While relatively mature, DFT has never been implemented in its full power, as it relies on a very large number (~ 10^9-10^12) of expensive calculations (~ day). The advent of leadership-class computers, as well as dedicated large-scale collaborative efforts such as the SciDAC 2 UNEDF project, have dramatically changed the field. This article gives an overview of the various computational challenges related to the nuclear DFT, as well as some of the recent achievements.Comment: Proceeding of the Invited Talk given at the SciDAC 2011 conference, Jul. 10-15, 2011, Denver, C

Hydrogen bonding in infinite hydrogen fluoride and hydrogen chloride chains

Hydrogen bonding in infinite HF and HCl bent (zigzag) chains is studied using the ab initio coupled-cluster singles and doubles (CCSD) correlation method. The correlation contribution to the binding energy is decomposed in terms of nonadditive many-body interactions between the monomers in the chains, the so-called energy increments. Van der Waals constants for the two-body dispersion interaction between distant monomers in the infinite chains are extracted from this decomposition. They allow a partitioning of the correlation contribution to the binding energy into short- and long-range terms. This finding affords a significant reduction in the computational effort of ab initio calculations for solids as only the short-range part requires a sophisticated treatment whereas the long-range part can be summed immediately to infinite distances.Comment: 9 pages, 4 figures, 3 tables, RevTeX4, corrected typo

Spanish validation of the revised depression attitude questionnaire (R-daq)

Purpose: The aim of the study was to develop and validate a Spanish version of the Revised Depression Attitude Questionnaire (R-DAQ). Methods: The R-DAQ was used as a baseline for the study. It was translated and tested to ensure the instrument was appropriate for the target population. 537 Ecuadorian healthcare professionals completed the revised Spanish version of the R-DAQ (SR-DAQ). Statistical and exploratory factor analyses were performed to examine construct validity, internal consistency, readability and floor and ceiling effects. Results: Three factors were obtained: “Professional confidence in depression care”; “Therapeutic optimism about depression”; and “Generalist perspective about depression occurrence, recognition, and management”. The internal consistency of the SR-DAQ was determined by means of Cronbach’s α coefficient, with values ranging between 0.61–0.8. The correlations with the English version reflected adequate validity. The model explained 39% of the variance. Subsequent analysis with a sample restricted to those who had received training in depression produced a model that explained 42% of the variance. Conclusion: The SR-DAQ meets the psychometric requirements for measuring depression attitude in a Spanish-speaking population and shows adequate internal consistency and validity