Two-photon absorption of perylene derivatives: Interpreting the spectral structure

This work investigates the two-photon absorption spectrum of perylene tetracarboxylic derivatives using the white-light continuum Z-scan technique. Perylene derivatives present relatively high two-photon absorption cross-section, which makes them attractive for applications in photonics. Because of the spectral resolution of the white-light continuum Z-scan, we were able to observe a well defined structure in the two-photon absorption spectrum, composed by two distinct peaks. These peaks, as well as the resonant enhancement of the nonlinearity, were modeled using the sum-over-states approach considering a four-level energy diagram with two final two-photon states. The existence of such states was confirmed using the response function formalism within the DFT framework. (C) 2009 Elsevier B.V. All rights reserved.

A general treatment of geometric phases and dynamical invariants

Based only on the parallel-transport condition, we present a general method to compute Abelian or non-Abelian geometric phases acquired by the basis states of pure or mixed density operators, which also holds for nonadiabatic and noncyclic evolution. Two interesting features of the non-Abelian geometric phase obtained by our method stand out: i) it is a generalization of Wilczek and Zee`s non-Abelian holonomy, in that it describes nonadiabatic evolution where the basis states are parallelly transported between distinct degenerate subspaces, and ii) the non-Abelian character of our geometric phase relies on the transitional evolution of the basis states, even in the nondegenerate case. We apply our formalism to a two-level system evolving nonadiabatically under spontaneous decay to emphasize the non- Abelian nature of the geometric phase induced by the reservoir. We also show, through the generalized invariant theory, that our general approach encompasses previous results in the literature. Copyright (c) EPLA, 2008.

The Hilbert space of the Chern-Simons theory on a cylinder: a loop quantum gravity approach

As a laboratory for loop quantum gravity, we consider the canonical quantization of the three-dimensional Chern-Simons theory on a noncompact space with the topology of a cylinder. Working within the loop quantization formalism, we define at the quantum level the constraints appearing in the canonical approach and completely solve them, thus constructing a gauge and diffeomorphism invariant physical Hilbert space for the theory. This space turns out to be infinite dimensional, but separable.

Volsurf Descriptors to Analyse Anti-HCV and Cytotoxic Activities of Sesquiterpene Lactones from Asteraceae Family

Various significant anti-HCV and cytotoxic sesquiterpene lactones (SLs) have been characterized. In this work, the chemometric tool Principal Component Analysis (PCA) was applied to two sets of SLs and the variance of the biological activity was explored. The first principal component accounts for as much of the variability in the data as possible, and each succeeding component accounts for as much of the remaining variability as possible. The calculations were performed using VolSurf program. For anti-HCV activity, PC1 (First Principal Component) explained 30.3% and PC2 (Second Principal Component) explained 26.5% of matrix total variance, while for cytotoxic activity, PC1 explained 30.9% and PC2 explained 15.6% of the total variance. The formalism employed generated good exploratory and predictive results and we identified some structural features, for both sets, important to the suitable biological activity and pharmacokinetic profile.

A theoretical study on the XeF(2) molecule

A relativistic four-component study was performed for the XeF(2) molecule by using the Dirac-Coulomb (DC) Hamiltonian and the relativistic adapted Gaussian basis sets (RAGBSs). The comparison of bond lengths obtained showed that relativistic effects on this property are small (increase of only 0.01 angstrom) while the contribution of electron correlation, obtained at CCSD(T) or CCSD-T levels, is more important (increase of 0.05 angstrom). Electron correlation is also dominant over relativistic effects for dissociation energies. Moreover, the correlation-relativity interaction is shown to be negligible for these properties. The electron affinity, the first ionization potential and the double ionization potential are obtained by means of the Fock-space coupled cluster (FSCC) method, resulting in DC-CCSD-T values of 0.3 eV, 12.5 eV and 32.3 eV, respectively. Vibrational frequencies and some anharmonicity constants were also calculated under the four-component formalism by means of standard perturbation equations. All these molecular properties are, in general, ill satisfactory agreement with available experimental results. Finally, a partition in terms of charge-charge flux-dipole flux (CCFDF) contributions derived by means of the quantum theory of atoms in molecules (QTAIM) in non-relativistic QCISD(FC)/3-21G* calculations was carried out for XeF(2) and KrF(2). This analysis showed that the most remarkable difference between both molecules lies on the charge flux contribution to the asymmetric stretching mode, which is negligible in KrF(2) but important in XeF(2). (c) 2008 Elsevier B.V. All rights reserved.

Proceedings from the 2nd seminar on Development of Modular Products : December 13-14, 2004, Campus Framtidsdalen, Dalarna University, Sweden

Companies are focusing on efforts increasing the overall efficiency at the same time as the ability to meet customer needs becomes even more important. There is a need to improve the organisation and the product design at the same time through the visualisation of how a product family design should be performed in order to adapt to customers, company internal issues, and long-term strategy. Therefore, there is a need for qualified personnel in today’s companies with the knowledge of product development and modularity. The graduate course Development of Modular Products at Högskolan Dalarna has the objective to provide such knowledge. As a part of the course, each student will individually perform extensive research within a chosen area with respect to Product Development and Modularity. This proceeding is the result of the students own work and was presented during a two day seminar at Dalarna University. The contents of the papers cover many areas, from the identification of customer needs to cost effective manufacturing, and benefits of modularisation. The reader of this proceeding will not only benefit from many areas within Product Development and Modularity but also from the colour of many cultures. In this proceeding, students from nine countries are represented (Bangladesh, China, Costa Rica, Germany, Holland, India, Luxembourg Nigeria, and Sweden). Enjoy the reading.

Effects of a quantum measurement on the electric conductivity : Application to graphene

We generalize the standard linear-response (Kubo) theory to obtain the conductivity of a system that is subject to a quantum measurement of the current. Our approach can be used to specifically elucidate how back-action inherent to quantum measurements affects electronic transport. To illustrate the utility of our general formalism, we calculate the frequency-dependent conductivity of graphene and discuss the effect of measurement-induced decoherence on its value in the dc limit. We are able to resolve an ambiguity related to the parametric dependence of the minimal conductivity.

A Compositional Semantics of UML-RSDS

This paper provides a semantics for the UML-RSDS (Reactive System Development Support) subset of UML, using the real-time action logic (RAL) formalism. We show how this semantics can be used to resolve some ambiguities and omissions in UML semantics, and to support reasoning about specifications using the B formal method and tools. We use `semantic profiles' to provide precise semantics for different semantic variation points of UML. We also show how RAL can be used to give a semantics to notations for real-time specification in UML. Unlike other approaches to UML semantics, which concentrate on the class diagram notation, our semantic representation has behaviour as a central element, and can be used to define semantics for use cases, state machines and interactions, in addition to class diagrams.

Software Tools For Large Scale Interactive Hydrodynamic Modeling

Running hydrodynamic models interactively allows both visual exploration and change of model state during simulation. One of the main characteristics of an interactive model is that it should provide immediate feedback to the user, for example respond to changes in model state or view settings. For this reason, such features are usually only available for models with a relatively small number of computational cells, which are used mainly for demonstration and educational purposes. It would be useful if interactive modeling would also work for models typically used in consultancy projects involving large scale simulations. This results in a number of technical challenges related to the combination of the model itself and the visualisation tools (scalability, implementation of an appropriate API for control and access to the internal state). While model parallelisation is increasingly addressed by the environmental modeling community, little effort has been spent on developing a high-performance interactive environment. What can we learn from other high-end visualisation domains such as 3D animation, gaming, virtual globes (Autodesk 3ds Max, Second Life, Google Earth) that also focus on efficient interaction with 3D environments? In these domains high efficiency is usually achieved by the use of computer graphics algorithms such as surface simplification depending on current view, distance to objects, and efficient caching of the aggregated representation of object meshes. We investigate how these algorithms can be re-used in the context of interactive hydrodynamic modeling without significant changes to the model code and allowing model operation on both multi-core CPU personal computers and high-performance computer clusters.

Adaptivity in programming languages

A programming style can be seen as a particular model of shaping thought or a special way of codifying language to solve a problem. An adaptive device is made up of an underlying formalism, for instance, an automaton, a grammar, a decision tree, etc., and an adaptive mechanism, responsible for providing features for self-modification. Adaptive languages are obtained by using some programming language as the device’s underlying formalism. The conception of such languages calls for a new programming style, since the application of adaptive technology in the field of programming languages suggests a new way of thinking. Adaptive languages have the basic feature of allowing the expression of programs which self-modifying through adaptive actions at runtime. With the adaptive style, programming language codes can be structured in such a way that the codified program therein modifies or adapts itself towards the needs of the problem. The adaptive programming style may be a feasible alternate way to obtain self-modifying consistent codes, which allow its use in modern applications for self-modifying code.

Conception of adaptive programming languages

Adaptive devices show the characteristic of dynamically change themselves in response to input stimuli with no interference of external agents. Occasional changes in behaviour are immediately detected by the devices, which right away react spontaneously to them. Chronologically such devices derived from researches in the field of formal languages and automata. However, formalism spurred applications in several other fields. Based on the operation of adaptive automata, the elementary ideas generanting programming adaptive languages are presented.

Os impactos da interação dinâmica entre a percepção da realidade e a ação humana na implementação da estratégia organizacional de uma empresa pública: um estudo de caso de cultura organizacional

This study exploits the Organizational Culture theme by a not very conventional way of the Theories of the Organization. Seeking solid bases in the anthropology and in the sociology with Geertz, Bourdieu, Guerreiro Ramos, Hofstede, Peter Berger, among others admirable thinkers, escapes from the common place established in the decade of 70 and mimetically repeated since then, by those who are arranged to study the cultures of the organizations. Instead of understand the culture as a variable of the reality, it treats like a form of access it. Instead of the purpose, it treats like a way. With a powerful instrument of diagnosis based on methods originated from the semiology and from the analysis of discourses, we study the case of a big Brazilian company that faces problems in the implementation of his program of excellence in security, environment and health. From the identification of the Organizational Culture as the element that hindes the full implementation of this program, we develop considerations as to the cultural factors that limit its implementation and that are going to be worked by the individuals that share this culture, in case of wanting effectively its implementation. Dimensions of the national culture as distance of power, legalism, formalism, posture of spectator, among others, are well-defined from the analysis we did and suggestions of how the manager should deal with these characteristics in the everyday life of its activities are presented.

Análise dos impactos do novo modelo de competitividade do sistema financeiro nacional no desempenho dos empregados dos Bancos Públicos de Varejo: o caso do BRC S/A

o estudo tem como principal foco apresentar uma referência de análise do comportamento individual dos empregados dos bancos de varejo diante da necessidade de adequação à estratégia utilizada para enfrentar o atual mercado competitivo. Mostra a importância da análise da dimensão simbólica para as organizações, os negócios e as relações entre os atores no contexto empresarial. Demonstra as principais mudanças recentes no Sistema Financeiro Nacional, que tem levado as organizações aí inseridas a buscar formas de adaptações, entre elas rever seus processos de gestão e de programas de treinamento e desenvolvimento de pessoas. Traça o perfil atual do Banco BRC SIA, fazendo um breve histórico e abordando os recursos humanos, a informatização, o projeto de saneamento fmanceiro e o desempenho operacional dos últimos anos. Conclui que as características culturais do Banco BRC SI A, em sua maIOrIa, reduzem a sua capacidade de adequar-se à forma de atuação dos bancos privados. Existem poucos traços culturais que favorecem a adaptabilidade do banco, entre os quais podemos citar o compromisso, a dedicação e a lealdade do pessoal ao banco (que já foram maiores no passado). Outros fatores também contribuem para dificultar a sua adaptabilidade, tais como o paternalismo, o formalismo, a impunidade, a postura de expectador, entre outras, características estas comuns às empresas brasileiras, conforme veremos no primeiro capítulo. Com relação a isto, será necessária uma forte dose de persistência e desejo de quebrar a inércia da organização, bem como uma constância de propósitos, para que as transformações aconteçam e o banco consiga se adaptar ao mercado. No caso, este deve ser o papel da liderança: ser persistente, perspicaz e flexível o suficiente para chamar o processo a si e conduzi-lo de forma eficaz. Ainda, contatou-se que existem resistências e dificuldades para a viabilização das transformações necessárias para que o banco atue como um banco privado. Algumas resistências são comuns e outras são específicas e próprias de cada situação observada.

Participação ou formalismo? O impacto das audiências públicas no Supremo Tribunal Federal brasileiro

Este trabalho objetiva demonstrar a impossibilidade estrutural de democratização do Supremo Tribunal Federal (STF) a partir da participação social nas audiências públicas jurisdicionais. Para tanto, o trabalho divide-se em três partes. Na primeira, são abordados dois fenômenos macrossociais, a crise do Estado de bem estar e a globalização econômica, com a finalidade de resgatar as principais interpretações sobre a emergência do Judiciário e identificar os projetos normativos de reforma originados. Dentre eles, destaca-se a perspectiva de Vianna e Burgos (2002), pois seu conteúdo é verificado nos discursos oficiais que interpretam as audiências públicas como instrumentos democratizantes do STF. No segundo capítulo, pretende-se questionar a possibilidade de democratização participativa do STF a partir da teoria política de Poulantzas (2000). Para esta matriz conceitual, o direito, na formação social capitalista, organiza interesses e unifica o consentimento de forma a moldar o corpo social de acordo com as prioridades das classes posicionadas no bloco do poder dominante. Prevê a concessão de direitos e sua retirada conforme os movimentos políticos das classes, que estão em contínua disputa no interior de um Estado de características materiais e permeado por fissuras. Nesse sentido, as audiências públicas, são interpretadas como procedimentos que sofisticam o formalismo tradicional dos tribunais, ocultando o exercício do controle por mecanismos que aparentemente concederiam espaço para participação popular e igualariam as oportunidades de intervenção de agentes de diferentes grupos sociais. Estas características sugerem a impossibilidade de democratização de suas estruturas. Por fim, no terceiro capítulo, o estudo de caso das cinco audiências realizadas evidencia a reprodução da disposição litigiosa do processo jurídico nestes eventos, uma vez que os ministros pouco participam, dispõem os participantes em lados opostos como se estivessem exercendo o contraditório e somente utilizam os pronunciamentos das audiências em seus votos para reforçar argumentos de seu interesse. De acordo com as informações sistematizadas, o presente estudo sugere que as audiências públicas não provocam impactos democratizantes nas estruturas do STF. Ao contrário, sofisticam os procedimentos existentes para reproduzir o tradicional papel de controle dos aparelhos judiciais no interior do capitalismo.

Modelo causal explicativo para o formalismo: um estudo de caso do Banco Central do Brasil

Sendo um dos objetivos básicos do Banco Central do Brasil a produção de normas visando o controle da política econômica, creditícia e cambial, e tendo esta organização um caráter estritamente normativo, esta dissertação estuda, a partir de um modelo causal explicativo, as formas em que se apresenta o fenômeno denominado formalismo, buscando retratar as discrepâncias existentes entre o que está escrito nas leis e normas e o que é, de fato, realizado na prática.