47 research outputs found

    Fermionic statistics in the strongly correlated limit of Density Functional Theory

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    Exact pieces of information on the adiabatic connection integrand Wλ[ρ]W_{\lambda}[\rho], which allows to evaluate the exchange-correlation energy of Kohn-Sham density functional theory, can be extracted from the leading terms in the strong coupling limit (λ\lambda\to\infty, where λ\lambda is the strength of the electron-electron interaction). In this work, we first compare the theoretical prediction for the two leading terms in the strong coupling limit with data obtained via numerical implementation of the exact Levy functional in the simple case of two electrons confined in one dimension, confirming the asymptotic exactness of these two terms. We then carry out a first study on the incorporation of the fermionic statistics at large coupling λ\lambda, both numerical and theoretical, confirming that spin effects enter at orders eλ\sim e^{-\sqrt{\lambda}}

    Duty to recontact in genomic cancer care:A tool helping to assess the professional's responsibility

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    Tumour DNA and germline testing, based on DNA-wide sequencing analysis, are becoming more and more routine in clinical-oncology practice. A promising step in medicine, but at the same time leading to challenging ethicolegal questions. An important one is under what conditions individuals (patients and their relatives, research participants) should be recontacted with new information, even if many years have passed since the last contact. Based on legal- and ethical study, we developed a tool to help professionals to decide whether or not to recontact an individual in specific cases. It is based on four assessment criteria: (1) professional relationship (2) clinical impact (3) individual's preferences and (4) feasibility. The tool could also serve as a framework for guidelines on the topic.</p

    Large coupling-strength expansion of the M{\o}ller-Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms

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    We study in detail the first three leading terms of the large coupling-strength limit of the adiabatic connection that has as weak-interaction expansion the M{\o}ller-Plesset perturbation theory. We first focus on the H atom, both in the spin-polarized and the spin-unpolarized case, reporting numerical and analytical results. In particular, we derive an asymptotic equation that turns out to have simple analytical solutions for certain channels. The asymptotic H atom solution for the spin-unpolarized case is then shown to be variationally optimal for the many-electron spin-restricted closed-shell case, providing expressions for the large coupling-strength density functionals up to the third leading order. We also analyze the H2 molecule and the uniform electron gas

    Plasma concentrations of anserine, carnosine and pi-methylhistidine as biomarkers of habitual meat consumption.

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    Background/Objectives Dietary intake of red and processed meat has been associated with disease risk. Since dietary intake assessment methods are prone to measurement errors, identifying biomarkers of meat intake in bio-samples could provide more valid intake estimates. We examined associations of habitual red and processed meat, poultry, fish, and dairy products consumption with plasma concentrations of anserine, carnosine, pi-methylhistidine (Pi-MH), tau-methylhistidine (T-MH), and the ratio of T-MH to Pi-MH in a cross-sectional study.Subjects/Methods Plasma anserine, carnosine, Pi-MH, and T-MH concentrations were measured using ion-pair LC-MS/MS in 294 participants in the second Bavarian Food Consumption Survey (BVS II). Habitual food consumption was assessed using three 24-h dietary recalls. Associations between plasma metabolites concentrations and meat, fish, eggs, and dairy products consumption were assessed by fitting generalized linear model, adjusted for age, sex, and BMI.Results Total meat intake was associated with plasma concentrations of anserine, carnosine, Pi-MH and, the ratio of T-MH to Pi-MH. Red meat intake was related to carnosine (p-trend = 0.0028) and Pi-MH plasma levels (p-trend = 0.0493). Poultry (p-trend = 0.0006) and chicken (p-trend = 0.0003) intake were associated with Pi-MH. The highest anserine concentrations were observed in individuals consuming processed meat or turkey. For T-MH we did not observe any association with meat intake.Conclusions Our results indicate an association between habitual meat consumption and plasma concentrations of anserine, carnosine, Pi-MH and the ratio of T-MH to Pi-MH. Intervention studies should clarify whether the analyzed plasma metabolites are indicative for a specific type of meat before proposing them as biomarkers of habitual meat intake in epidemiologic studies

    Sectorprofielen arbeidsongevallen : bijlage bij de Monitor Arbeidsongevallen 2005

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    In de Monitor Arbeidsongevallen, die sinds 2002 jaarlijks wordt gepubliceerd, staan nationale kerncijfers over arbeidsongevallen, trends en een vergelijking met de Europese cijfers. De Monitor is onder meer bedoeld als informatiebron voor de overheid en het bedrijfsleven. De gegevens over arbeidsongevallen op jaarbasis bieden echter weinig mogelijkheden voor een betrouwbare nadere analyse per sector, waardoor de geboden informatie voor gebruik in sectoren te algemeen wordt gevonden. In opdracht van het Ministerie van Sociale Zaken en Werkgelegenheid daarom de onderhavige aparte rapportage opgesteld met sectorprofielen voor arbeidsongevallen op basis van cijfers over meerdere jaren. Daarvoor is gebruik gemaakt van de Enquête Beroepsbevolking (EBB) van het CBS en het Letsel Informatie Systeem (LIS) van Consument en Veiligheid. Uit de cijfers blijkt onder meer dat de meeste ongevallen met lichamelijk letsel en verzuim plaatsvinden in de industrie en delfstofwinning (24%), de bouwnijverheid (14%) en de handel (13%). De kans op een arbeidsongeval met lichamelijk letsel en verzuim per 100.000 werkenden is significant gedaald met gemiddeld 5% per jaar. In de horeca en het onderwijs zijn niet significante stijgende trends zichtbaar. In de industrie, de handel en in de categorie ‘overige sectoren’ is een significant dalende trend te zien in de kans op een arbeidsongeval met lichamelijk letsel en verzuim. Deze rapportage is een bijlage bij de Monitor Arbeidsongevallen 2005

    Real-space Mott-Anderson electron localization with long-range interactions

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    Real materials always contain, to some extent, randomness in the form of defects or irregularities. It is known since the seminal work of Anderson that randomness can drive a metallic phase to an insulating one, and the mechanism responsible for this transition is intrinsically different from the one of the interaction-induced transitions discovered by Mott. Lattice Hamiltonians, with their conceptual and computational advantages, permitted to investigate broadly the interplay of both mechanisms. However, a clear understanding of the differences (or not) with their real-space counterparts is lacking, especially in the presence of long-range Coulomb interactions. This work aims at shedding light on this challenging question by investigating a real-space one-dimensional model of interacting electrons in the presence of a disordered potential. The transition between delocalized and localized phases is characterized using two different indicators, namely, the single-particle occupation entropy and the position-space information entropy. In addition, the performance of density functional approximations to reproduce the exact ground-state densities of this many-body localization model are gauged
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