Spin polarization, orbital occupation and band gap opening in vanadium dioxide: the effect of screened Hartree–Fock exchange

The metal–insulator transition of VO2 so far has evaded an accurate description by density functional theory. The screened hybrid functional of Heyd, Scuseria and Ernzerhof leads to reasonable solutions for both the low-temperature monoclinic and high-temperature rutile phases only if spin polarization is excluded from the calculations. We explore whether a satisfactory agreement with experiment can be achieved by tuning the fraction of Hartree Fock exchange (a) in the density functional. It is found that two branches of locally stable solutions exist for the rutile phase for 12:5% 6 a 6 20%. One is metallic and has the correct stability as compared to the monoclinic phase, the other is insulating with lower energy than the metallic branch. We discuss these observations based on the V 3d orbital occupations and conclude that a ¼ 10% is the best possible choice for spin-polarized VO2 calculations.

The financial and environmental performance of firms exposed to the EU Emissions Trading Scheme

This thesis is an empirical-based study of the European Union’s Emissions Trading Scheme (EU ETS) and its implications in terms of corporate environmental and financial performance. The novelty of this study includes the extended scope of the data coverage, as most previous studies have examined only the power sector. The use of verified emissions data of ETS-regulated firms as the environmental compliance measure and as the potential differentiating criteria that concern the valuation of EU ETS-exposed firms in the stock market is also an original aspect of this study. The study begins in Chapter 2 by introducing the background information on the emission trading system (ETS), which focuses on (i) the adoption of ETS as an environmental management instrument and (ii) the adoption of ETS by the European Union as one of its central climate policies. Chapter 3 surveys four databases that provide carbon emissions data in order to determine the most suitable source of the data to be used in the later empirical chapters. The first empirical chapter, which is also Chapter 4 of this thesis, investigates the determinants of the emissions compliance performance of the EU ETS-exposed firms through constructing the best possible performance ratio from verified emissions data and self-configuring models for a panel regression analysis. Chapter 5 examines the impacts on the EU ETS-exposed firms in terms of their equity valuation with customised portfolios and multi-factor market models. The research design takes into account the emissions allowance (EUA) price as an additional factor, as it has the most direct association with the EU ETS to control for the exposure. The final empirical Chapter 6 takes the investigation one step further, by specifically testing the degree of ETS exposure facing different sectors with sector-based portfolios and an extended multi-factor market model. The findings from the emissions performance ratio analysis show that the business model of firms significantly influences emissions compliance, as the capital intensity has a positive association with the increasing emissions-to-emissions cap ratio. Furthermore, different sectors show different degrees of sensitivity towards the determining factors. The production factor influences the performance ratio of the Utilities sector, but not the Energy or Materials sectors. The results show that the capital intensity has a more profound influence on the utilities sector than on the materials sector. With regard to the financial performance impact, ETS-exposed firms as aggregate portfolios experienced a substantial underperformance during the 2001–2004 period, but not in the operating period of 2005–2011. The results of the sector-based portfolios show again the differentiating effect of the EU ETS on sectors, as one sector is priced indifferently against its benchmark, three sectors see a constant underperformance, and three sectors have altered outcomes.

Scheduling Grid Applications with Software Requirements

The aim of task scheduling is to minimize the makespan of applications, exploiting the best possible way to use shared resources. Applications have requirements which call for customized environments for their execution. One way to provide such environments is to use virtualization on demand. This paper presents two schedulers based on integer linear programming which schedule virtual machines (VMs) in grid resources and tasks on these VMs. The schedulers differ from previous work by the joint scheduling of tasks and VMs and by considering the impact of the available bandwidth on the quality of the schedule. Experiments show the efficacy of the schedulers in scenarios with different network configurations.

Asymmetric Ramsey Properties of Random Graphs Involving Cliques

Consider the following problem: Forgiven graphs G and F(1),..., F(k), find a coloring of the edges of G with k colors such that G does not contain F; in color i. Rodl and Rucinski studied this problem for the random graph G,,, in the symmetric case when k is fixed and F(1) = ... = F(k) = F. They proved that such a coloring exists asymptotically almost surely (a.a.s.) provided that p <= bn(-beta) for some constants b = b(F,k) and beta = beta(F). This result is essentially best possible because for p >= Bn(-beta), where B = B(F, k) is a large constant, such an edge-coloring does not exist. Kohayakawa and Kreuter conjectured a threshold function n(-beta(F1,..., Fk)) for arbitrary F(1), ..., F(k). In this article we address the case when F(1),..., F(k) are cliques of different sizes and propose an algorithm that a.a.s. finds a valid k-edge-coloring of G(n,p) with p <= bn(-beta) for some constant b = b(F(1),..., F(k)), where beta = beta(F(1),..., F(k)) as conjectured. With a few exceptions, this algorithm also works in the general symmetric case. We also show that there exists a constant B = B(F,,..., Fk) such that for p >= Bn(-beta) the random graph G(n,p) a.a.s. does not have a valid k-edge-coloring provided the so-called KLR-conjecture holds. (C) 2008 Wiley Periodicals, Inc. Random Struct. Alg., 34, 419-453, 2009

Vägen till jämställdhet - Kvinnor i styrelserum eller män i förskolan? : En kritisk analys av den svenska jämställdhetsdiskursen

Equality between the sexes has been discussed in Sweden for more than 50 years. In the 60´s and during the 70´s the discourse that dominated the debate was based on the assumption that both men and women needed to liberate themselves from their traditional gender roles. In this approach information and education was perceived as the key to equality. During the 80´s however, power and subordination became the main focal point of concern within this debate, and focus upon changing the patriarchal power structures dominating society were perceived as the principal key for establishing equality between the sexes. Today, the latter discourse still dominates both the scientific and the political perspective upon equality. By examining the debate on equality from two different fields of occupation this paper tries to analyse the fact that the Swedish equality discourse looks very different on male - versus female domination. Although the proportion of male teachers in Swedish preschools is about 3 % and the amount of women serving as public company directors is about 20 %, the current discourse views male dominance within the business sector as problematic, whilst, the dominance of women in the preschool childcare sector as less problematic. In respect of the theory supported by Bourdieu (1999), Hirdman (1990 & 2003) and Foucault (1998 & 2002) this paper advocates that the discourse is biased and simplified and that a perspective that only focuses on areas of male domination sets the wrong priorities. With regards to equality ideals prevalent throughout Norway this paper concludes that the Swedish equality discourse needs a broader and more open approach to assure that Swedish institutions promote equality between men and women in the best possible way.

Transkulturell omvårdnad-erfarenheter hos specialistutbildadesjuksköterskor inom psykiatrisk vård. : En kvalitativ intervjustudie

Syftet: Syftet med studien var att belysa specialistutbildade sjuksköterskors erfarenheter av transkulturell omvårdnad inom psykiatrisk vård. Metod: Studien genomfördes med en kvalitativ metod med enskilda semistrukturerade intervjuer. Specialistutbildade sjuksköterskor som arbetat inom psykiatrisk vård minst ett år fick berätta om sina erfarenheter av transkulturell omvårdnad.  Resultat: I resultatet framkom det att specialistutbildade sjuksköterskor inompsykiatrisk vård upplever språket som ett hinder för omvårdnaden eftersom språket är så centralt inom psykiatrisk vård då samtal utgör en stor del under vårdtiden. Det visar också att religiösa och kulturella seder kan ha betydelse i möten med patienter från olika kulturer. Möjligheter att förstå varandra mellan personal, patienter och anhöriga som är delaktiga i vården lyfts fram. Anhöriga kan bidra med information och även stötta patienterna vilket är värdefullt för omvårdnaden. Tolk används ofta för att lösa kommunikationsproblem men de används inte i så stor utsträckning man skulle önska på grund av kostnader. Slutsats: De specialistutbildade sjuksköterskorna har i stor utsträckning, kunnat ta hänsyn till patientens önskemål och erbjudit patienten det bästa möjliga alternativ till god omvårdnad. Studien visar att det finns specialistutbildade sjuksköterskor inom psykiatrisk vård som anser sig behöva mer kunskap inom transkulturell omvårdnad.

Matematikläxans fördelar och nackdelar : En intervjustudie av lärares syn på matematikläxor i grundskolans tidigare år

Syftet med denna studie är att få kunskap om lärares syn på matematikläxor i grundskolans tidigare år. Förhoppningen var att få förståelse för lärares syfte med matematikläxor och vilka förmågor eleverna förväntas utveckla med matematikläxors hjälp samt att jämföra vilka för- och nackdelar matematikläxan har. För att undersöka detta har sju intervjuer gjorts med lärare från olika skolor och olika årskurser från 1-6. Samtliga lärare som intervjuats undervisar i matematik. Lärares erfarenheter av läxornas betydelse för matematikundervisningen är ett viktigt område att få kunskap om. De lärare som deltog i intervjuerna uttryckte olika synpunkter på matematikläxan. Något lärarna var överens om var att läxa är en skoluppgift som eleven tar med hem efter skolans slut och arbetar med hemma. Lärarna uttryckte samstämmigt att eleverna inte utvecklar några förmågor med matematikläxans hjälp utan förmågorna utvecklar eleverna i skolan med hjälp av lärarna. Det framgick att samtliga lärare upplevde att matematikläxan var tidskrävande och för att matematikläxan ska nå syftet på bästa möjliga sätt behövs mer tid. Att läxan kopplas till undervisning och uppföljning är centralt för att syftet med matematikläxan ska uppnås enligt de intervjuade lärarna. Av resultaten framgår att några lärare är negativt inställda till matematikläxor för att uppföljning och koppling till undervisningen inte finns med och därför förlorar matematikläxan sitt syfte. Föräldrarnas förutsättningar är väldigt olika som exempelvis att de har svårigheter med det svenska språket eller inte är engagerade i barnets skolgång. Andra lärare är positivt inställda till matematikläxor för att färdighetsträningen och repetitionen är viktig och tiden som behövs för det inte räcker till i skolan.

Barnmorskors och sjuksköterskors behov av stöd inom abortverksamhet : Intervjustudie

Bakgrund: Stöd inom abortvård har en stor betydelse för att upprätthålla en professionell förhållningsätt i mötet med patienten i abortsituationen och ge fullgodvård. Syfte: Syftet med den här studien var att beskriva barnmorskors och sjuksköterskors behov av stöd inom abortverksamheten. Metod: Kvalitativa semistrukturerade intervjuer genomfördes med sjuksköterskor och barnmorskor på en svensk kvinnoklinik för att uppnå studiens syfte. Resultat: Resultatet visade att behoven av stöd skiftade, beroende på vårdpersonalens olika utbildningar, arbetslivserfarenheter och personliga egenskaper. Behoven av stöd kunde innefatta kunskap, emotionellt stöd och etisk reflektion. Samspel i vårdteamet som består av gynekologer, barnmorskor, sjuksköterskor och kuratorer var viktigt för att kunna skapa bästa möjliga arbetsmiljö. Förutom grundutbildning som sjuksköterska eller barnmorska skulle behövas mer specifik utbildning inom abortvård.

An Environmental Analysis Corroborating PDA and the Winthrop Example

Libraries seek active ways to innovate amidst macroeconomic shifts, growing online education to help alleviate ever-growing schedule conflicts as students juggle jobs and course schedules, as well as changing business models in publishing and evolving information technologies. Patron-driven acquisition (PDA), also known as demand-driven acquisition (DDA), offers numerous strengths in supporting university curricula in the context of these significant shifts. PDA is a business model centered on short-term loans and subsequent purchases of ebooks resulting directly from patrons' natural use stemming from their discovery of the ebooks in library catalogs where the ebooks' bibliographic records are loaded at regular intervals established between the library and ebook supplier. Winthrop University's PDA plan went live in October 2011, and this article chronicles the philosophical and operational considerations, the in-library collaboration, and technical preparations in concert with the library system vendor and ebook supplier. Short-term loan is invoked after a threshold is crossed, typically number of pages or time spent in the ebook. After a certain number of short-term loans negotiated between the library and ebook supplier, the next short-term loan becomes an automatic purchase after which the library owns the ebook in perpetuity. Purchasing options include single-user and multi-user licenses. Owing to high levels of need in college and university environments, Winthrop chose the multi-user license as the preferred default purchase. Only where multi-user licenses are unavailable does the automatic purchase occur with single-user title licenses. Data on initial use between October 2011 and February 2013 reveal that of all PDA ebooks viewed, only 30% crossed the threshold into short-term loans. Of all triggered short-term loans, Psychology was the highest-using. Of all ebook views too brief to trigger short-term loans, Business was the highest-using area. Although the data are still too young to draw conclusions after only a few months, thought-provoking usage differences between academic disciplines have begun to emerge. These differences should be considered in library plans for the best possible curricular support for each academic program. As higher education struggles with costs and course-delivery methods libraries have an enduring lead role.

Diferenças básicas entre líderes e gerentes

Existem algumas diferenças vitais entre os líderes e os administradores. Torna-se crucial diferenciar esses dois tipos de comportamentos. De acordo com alguns autores como Bennis, Gardner, Hickman e Porter por exemplo, é importante ter em mente que: A palavra Administrador costuma indicar que o indivíduo assim rotulado, ocupa um posto de direção numa organização, decidindo sobre os processos através dos quais uma organização funciona, alocando recursos com prudência, utilizando seu pessoal da melhor maneira possível. Líder é usado para indicar alguém que usa o processo de persuasão porque preocupa-se com aquilo que as coisas significam para as pessoas. Os líderes se orientam na direção da inovação desafiando o status quo e inspirando confiança. É capaz de intensificar o comprometimento e o entusiasmo dos empregados. Esse processo significa pessoas rumo a novas direções e inspirá-las a fazerem com que as coisas aconteçam. A maior parte dos administradores exibe algumas habilidades de liderança, e a maior parte dos líderes ocasionalmente se vê administrando. O projeto de pesquisa deverá apontar essas diferenças, embora liderança e administração não sejam a mesma coisa, mas podem se sobrepor. Esta pesquisa tenta demonstrar que líderes e administradores podem harmonizar suas diferentes orientações comportamentais quando trabalham juntos. Isto habilita as organizações a tirar maior proveito dos pontos fortes que eles têm.

Bounds on functionals of the distribution treatment effects

Bounds on the distribution function of the sum of two random variables with known marginal distributions obtained by Makarov (1981) can be used to bound the cumulative distribution function (c.d.f.) of individual treatment effects. Identification of the distribution of individual treatment effects is important for policy purposes if we are interested in functionals of that distribution, such as the proportion of individuals who gain from the treatment and the expected gain from the treatment for these individuals. Makarov bounds on the c.d.f. of the individual treatment effect distribution are pointwise sharp, i.e. they cannot be improved in any single point of the distribution. We show that the Makarov bounds are not uniformly sharp. Specifically, we show that the Makarov bounds on the region that contains the c.d.f. of the treatment effect distribution in two (or more) points can be improved, and we derive the smallest set for the c.d.f. of the treatment effect distribution in two (or more) points. An implication is that the Makarov bounds on a functional of the c.d.f. of the individual treatment effect distribution are not best possible.

Modelos de governança e organizações esportivas: uma análise das federações e confederações esportivas brasileiras

Esta Tese tem como objetivo analisar a relação entre as práticas de governança para Federações esportivas e a sua efetividade no Brasil, utilizando a Teoria dos Stakeholders e teorias sobre organizações esportivas. Ela sugere práticas de governança para as entidades esportivas que podem aumentar a sua efetividade - em um contexto em que o esporte é relevante para o Estado e a sociedade. São identificados os principais Stakeholders no esporte e em seguida apresentados parâmetros para uma boa governança, divididos nos campos: regulação, resultados, profissionalismo, transparência e participação. A confecção da presente Tese abrangeu uma pesquisa qualitativa, onde foram entrevistados 26 atores do mundo do esporte e analisados Estatutos e outros documentos de Confederações esportivas. Isso foi facilitado pelo envolvimento do autor com o assunto, pois exerce a direção de Federação Esportiva desde 2005 (Vice Presidente da Federação de Vela do Estado do Rio de Janeiro, 2005/2010 e Presidente da mesma entidade 2011/2012). A solução aqui proposta ajuda a conferir mais transparência e controle sobre as organizações esportivas, criando uma racionalidade instrumental que melhor atenda aos interesses objetivos do conjunto de seus Stakeholders.

O Plano Diretor como instrumento de gestão da cidade: o caso da cidade de Fortaleza/CE

According to article 182 of the Brazilian Federal Constitution, cities should perform social function, what brings the concept that the city should be a place for one to live well. For that to happen, it should be well administered by its public managers. However, so that there is a sound administration, one that really performs that social function, there must be, first, an efficient planning. We understand that such a thing occurs when the master plan is the main planning instrument of a city and serves as basis for its administration. We notice, however, that in most of the cities the master plan is formulated as a law that regulates urban planning but that both the population and the government most of the times are not aware of its importance concerning the relevant issues related to municipal administration, such as its relationship with the economy, taxation, the social issue, land use regulation, and, in summary, with all the aspects that constitute and that a municipal government should manage in the best possible way. One also knows that, in general, the attempt of city planning has always been connected to the duration of a mandate and that way public managers many times implement restricted measures aiming to just attain a political-electoral objective and publicizing their administration. That implies actions and works that in some cases have negative impacts or ones that cannot be removed from the cities. This study intends to show that the master plan should be the planning instrument guiding the municipal administration but that, however, what we note is a lack of connection between that instrument and the government guidelines of the municipal managers. In order to study what happens to the cities that have a planning which is not taken into account in its administration, we will use the city of Fortaleza, capital of the State of Ceará as a case study. Historically, in Fortaleza the public managers have seldom decided to administer the city in according to the master plans developed for it. We should emphasize that planning begins in the city quite late and until the current days it is being substituted by temporary measures. Through the analysis of the planning process and of the urban management of the city of Fortaleza, especially the master plans predicted since 1933, we explain that if such plans had been implemented, they could have been important tools for its administration to attain a social function, becoming therefore a place for one to live well

Influência de fatores biopsicossociais sobre a mortalidade de idosos no município de Santa Cruz/RN: um estudo prospectivo

The aging process if characterizes for a complex events network, from multidimensional nature, that encloses biological, social, psychic and functional aspects. The alteration of one or more aspects can speed up the aging process, anticipating limitations and until the death in the aged. For an adjusted confrontation of this question is necessary an interdisciplinary vision, in which the some areas of the knowledge can interact and with this to intervenes of the best possible form. Then, information derived from studies of aspects related to incidence, morbidity-mortality and transition patterns, involved in the health-illness process can more accurately identify risk groups thereby establishing links between social factors, illness, incapacity and death. Thus, this study aimed to identify, by a multidimensional vision, the risk factors of mortality in a coorth of elderly in a city in the interior of the state of Rio Grande do Norte (RN), Brazil. A prospective study carried out in Santa Cruz RN, where 310 elderly were randomly selected to form a baseline. The follow-up was 53 months. The predictive variables were divided into sociodemographic, physical health, neuropsychiatric and functional capacity. The statistical analysis carried out by bivariate analysis, survival analysis, followed by binary logistic regression and Cox regression, in the multivariate analysis, considering significant levels p < 0.05 and confidence interval (CI) of 95%. A total of 60 (19.3%) elderly died during the follow-up, where cardiovascular disease was the main cause. The survival was approximately 24.8 months. The study of general survival showed, at 12, 24, 36, and 48 months of observation, a survival rate of 97%, 54%, 31%, and 5% respectively, with a statistical difference in survival only observed for the variables of cognitive function and Basic Activities of Daily Living. In the logistic regression analysis, the risk factors identified were cognitive deficits (OR = 8.74), poor perception of health (OR = 3.89) and dependence for Basic Activities of Daily Living (OR = 3.96). In the Cox analysis, as well as dependence for Basic Activities of Daily Living (HR = 3.17), cognitive deficit (HR = 4.30) and stroke (CVA) (HR = 3.49) continued as independent risk factors for death. The risk factors found in the study can be interpreted as the primary predictors for death among elderly members of the community. Therefore, improvements in health conditions, with actions towards sustaining an autonomous life with special attention for elderly with cognitive impairment, could mean additional healthy quality of life, resulting in the reduction of premature mortality in this population

Análise comparativa de modelos de maturidade em gerenciamento de projetos: uma contribuição ao estudo da maturidade organizacional em setores de engenharia

The purpose of this dissertation is to formulate guidelines for the improvement of maturity models, or the development of new ones, aiming at its application to project departments. The maturity of project management has become critical for organizations that develop projects and want to stand out in the market they serve. For this purpose, maturity models provide paths in order to guarantee that the institutionalization of project management is achieved in the best possible way. Generally, these models assess the organization, define its current situation in managing projects and propose steps to be performed in the search of more advanced levels of maturity. With the objective of contributing to the improvement of maturity models for specific cases, a bibliographical research was conducted for the preparation of a comparative analysis matrix and performed a case study for application of two maturity models (MMGP and PMMM levels 2 and 3), selected based on criteria found in the literature, in an engineering department of an oil company. The case study supported the realization of a comparative analysis of models, from which guidelines were formulated for improvement. The results showed that thedepartment is evaluated in a medium stage of maturity, recording significant progress in some dimensions assessed. They also found that the results of applying the two models are presented as complementary, although the model is highlighted by the greater depth of MMGP diagnostic, considering many variables in their levels of maturity than model PMMM (levels 2 and 3).Finally, directions have been formulated that contribute to the improvement of maturity models, taking in account the organizational environment in which this work was developed