59,846 research outputs found
Competing Orderings in an Extended Falicov-Kimball Model
We present a Hartree-Fock study of the Falicov-Kimball model extended by both
on-site and non-local hybridization. We examine the interplay between excitonic
effects and the charge-density wave (CDW) instability known to exist at zero
hybridization. It is found that the CDW state remains stable in the presence of
finite hybridization; for on-site hybridization the Coulomb interaction
nevertheless strongly enhances the excitonic average above its value in the
noninteracting system. In contrast, for non-local hybridization, we observe no
such enhancement of the excitonic average or a spontaneous on-site
hybridization potential. Instead, we find only a significant suppression of the
excitonic correlations in the CDW state. A phenomenological Ginzburg-Landau
analysis is also provided to understand the interplay.Comment: RevTex, 5 pages, 4 figures; expanded and corrected, typos added,
references adde
GW quasiparticle calculations with spin-orbit coupling for the light actinides
We report on the importance of GW self-energy corrections for the electronic
structure of light actinides in the weak-to-intermediate coupling regime. Our
study is based on calculations of the band structure and total density of
states of Np, U, and Pu using a one-shot GW approximation that includes
spin-orbit coupling within a full potential LAPW framework. We also present RPA
screened effective Coulomb interactions for the f-electron orbitals for
different lattice constants, and show that there is an increased contribution
from electron-electron correlation in these systems for expanded lattices. We
find a significant amount of electronic correlation in these highly localized
electronic systems.Comment: Accepted and to appear in Phys. Rev.
Field induced d_x^2-y^2+id_xy state in d-density-wave metals
We argue that the d_{xy} component of the order parameter can be generated to
form the d_x^2-y^2+id_xy-density wave state by the external magnetic field. The
driving force for this transition is the coupling of the magnetic field with
the orbital magnetism. The fully gapped particle spectrum and the magnetically
active collective mode of the condensate are discussed as a possible signature
of the d+id' density wave state.Comment: 5 pages, 2 color figure
Relation Discovery from Web Data for Competency Management
This paper describes a technique for automatically discovering associations between people and expertise from an analysis of very large data sources (including web pages, blogs and emails), using a family of algorithms that perform accurate named-entity recognition, assign different weights to terms according to an analysis of document structure, and access distances between terms in a document. My contribution is to add a social networking approach called BuddyFinder which relies on associations within a large enterprise-wide "buddy list" to help delimit the search space and also to provide a form of 'social triangulation' whereby the system can discover documents from your colleagues that contain pertinent information about you. This work has been influential in the information retrieval community generally, as it is the basis of a landmark system that achieved overall first place in every category in the Enterprise Search Track of TREC2006
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Clustering driving styles via image processing
It has become of key interest in the insurance industry to understand and extract information from telematics car driving data. Telematics car driving data of individual car drivers can be summarized in so-called speed acceleration heatmaps. The aim of this study is to cluster such speed acceleration heatmaps to different categories by analysing similarities and differences in these heatmaps. Making use of local smoothness properties, we propose to process these heatmaps as RGB images. Clustering can then be achieved by involving supervised information via a transfer learning approach using the pre-trained AlexNet to extract discriminative features. The K-means algorithm is then applied on these extracted discriminative features for clustering. The experiment results in an improvement of heatmap clustering compared to classical approaches
Radiation hardness qualification of PbWO_4 scintillation crystals for the CMS Electromagnetic Calorimeter
Ensuring the radiation hardness of PbWO_4 crystals was one of the main priorities during the construction of the electromagnetic calorimeter of the CMS experiment at CERN. The production on an industrial scale of radiation hard crystals and their certification over a period of several years represented a difficult challenge both for CMS and for the crystal suppliers. The present article reviews the related scientific and technological problems encountered
Steric Hindrance as a Mechanistic Probe for Olefin Reactivity: Variability of the Hydrogenic Canopy over the Isomeric Adamantylideneadamantane/Sesquihomoadamantene Pair (A Combined Experimental and Theoretical Study)
Access to each CC face of adamantylideneadamantane (AA) and sesquihomoadamantene (SA) is hindered by the hydrogenic canopy consisting of four β-hydrogens; otherwise, these olefins have quite normal environments. X-ray crystallography and density functional (DFT) calculations show a 0.5 Å larger annular opening in the protective cover of AA than that in SA. This contributes to the remarkable differences in reactivity toward various reagents, not only by limiting access to the olefin site in SA but also by inhibiting reactions which force these hydrogens closer together. Thus, AA is subject to typical olefin-addition reactions with bromine, sulfuryl chloride, m-chloroperbenzoic acid, dioxygen, and so forth, albeit sometimes at attenuated rates. On the other hand, SA is singularly unreactive under identical reaction conditions, except for the notable exceptions that include Brønsted (protonic) acids, a nitrosonium cation, and dichlorine. The exceptions are characterized as three sterically limited (electrophilic) reagents whose unique reactivity patterns are shown to be strongly influenced by steric access to the CC center. As such, the different degrees of steric encumbrance in the isomeric donors AA and SA shed considerable light on the diverse nature of olefinic reactions. In particular, they evoke mechanistic features in electrophilic addition versus electron transfer, which are otherwise not readily discernible with other less hindered olefinic donors. Transient structures of the olefinic-reaction intermediates such as the protonated carbocations AA−H+ and SA−H+ as well as the cation radicals AA•+ and SA•+ are probed by the combination of X-ray crystallographic analyses and density functional theoretical computations
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