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Advances in Quantum Chemistry : Volume 66
- 2013
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Samlingsverk (redaktörskap) (refereegranskat)abstract
- In this issue of the Advances in Quantum Chemistry, Volume 66, the readers are offered an interesting mix of themes, first an account of the high-Tc mechanism of a recently discovered class of superconductors, with a characteristic alternant lattice structure; a lucid treatise of some of the fundamental core concepts, labeled as conundrums in chemical physics, a state-of-the art description of the electron-dynamics, END, method; and finally new developments regarding unified descriptions of embeddings in both a discrete and a continuum polarizable environment within multiconfigurational self-consistent field (MCSCF) theories. In Chapter 1, the authors review a contemporary hot topic, that is, theories concerning the understanding of a newly discovered class of high-Tc superconductors, that is, the iron-based pnictides and the chalcogenic compounds exhibiting, in analogy with the cuprates previously discovered and discussed, a characteristic alternant lattice structure. Since recent speculations suggest the emergence of superconductivity from repulsive electronic correlations, the authors demonstrate in this review a detailed mechanism for this class of condensates originating in the alternant structure as well as simultaneously exhibiting Yang’s celebrated concept of off-diagonal long-range order, ODLRO. In addition, it is pointed out that the authors proposed conformational stabilization with strong interactions as a possible mechanism for high-temperature superconductivity more than 30 years ago and that a similar repulsive coulomb mechanism for the alternant lattice structure is central to the occurrence of the most stable condensates, exhibiting dx2-y2symmetry for the cuprates and sign alternating s-wave or s±condensate symmetries for the pnictides. In Chapter 2, several fundamental concepts and models that appear challenging to students and teachers in chemistry interrelated scientific disciplines have been presented under the title “Conundrums in Chemical Physics.” In particular, the author provides explanations and validations of concepts such as those of the classical Marcus model and the quantum mechanical Landau theory of electron transfer reactions, or further the semi-classical Landau–Zener approach for diabatic transitions, integrated by the notion of reaction paths as well as the progression of stochastic models, etc. In addition, fundamental mathematical approaches, like the Langevin-, the Fokker–Planck-, and the Klein–Kramers’ equation, are illustrated and evolved. Possible objections of the work presented here concern the connection between Kramers’ account of Transition State theory in the context of phase space diffusion and the irreversible version of the Liouville equation. By transferring the classical concepts to the field of Quantum Chemistry, the author meets the complaints and outlines a time-dependent Liouville superoperator space and Trace Algebra with an emphasis to facilitate the description of the issues facing the developmentof a modern quantum mechanical theory of irreversible processes in analogy with their classical counterparts. Chapter 3 concerns a method for treating molecular dynamics in a nonadiabatic way that treats electrons and nuclei simultaneously. The method, electron nuclear dynamics or END, as presently implemented, reduces the nuclear wavefunction to zero width, making the nuclei act classically, while maintaining Thouless single-determinantal description of the electrons. Typically, the method is implemented in its simplest form and thus has some application problems, as described in this chapter. The chapter deals with the computational simplification of the problem by introducing a density functional (DFT)-based treatment of the electronics in order to include some correlation and yet maintain a single-determinantal description. Chapter 4 in this volume deals with the linear response properties of an electronic state of a system embedded in a polarizable medium. The treatmentis based on an MCSCF theory and leads to the description of the electronic state of an embedded molecule.The content of this volume is quite diverse, and it is hoped that the volume will provide an interesting read for all who have interest in the quantum mechanical description of a wide variety of molecular systems.
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Agility Across Time and Space : Implementing Agile Methods in Global Software Projects
- 2010. - 1
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Samlingsverk (redaktörskap) (övrigt vetenskapligt/konstnärligt)abstract
- Rather than deciding whether or not to get involved in global sourcing, many companies are facing decisions about whether or not to apply agile methods in their distributed projects. These companies are often motivated by the opportunities to solve the coordination and communication difficulties associated with global software development. Yet while agile principles prescribe close interaction and co-location, the very nature of distributed software development does not support these prerequisites. Šmite, Moe, and Ågerfalk structured the book into five parts. In "Motivation" the editors introduce the fundamentals of agile distributed software development and explain the rationale behind the application of agile practices in globally distributed software projects. "Transition" describes implementation strategies, adoption of particular agile practices for distributed projects, and general concepts of agility. "Management" details practical implications for project planning, time management, and customer and subcontractor interaction. "Teams" discusses agile distributed team configuration, effective communication and knowledge transfer, and allocation of roles and responsibilities. Finally, in the "Epilogue" the editors summarize all contributions and present future trends for research and practice in agile distributed development. This book is primarily targeted at researchers, lecturers, and students in empirical software engineering, and at practitioners involved in globally distributed software projects. The contributions are based on sound empirical research and identify gaps and commonalities in both the existing state of the art and state of the practice. In addition, they also offer practical advice through many hints, checklists, and experience reports. Questions answered in this book include: What should companies expect from merging agile and distributed strategies? What are the stumbling blocks that prevent companies from realizing the benefits of the agile approach in distributed environments, and how can we recognize infeasible strategies and unfavorable circumstances? What helps managers cope with the challenges of implementing agile approaches in distributed software development projects? How can distributed teams survive the decisions taken by management and become efficient through the application of agile approaches?
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Aided Communication in Everyday Interaction
- 2013
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Samlingsverk (redaktörskap) (övrigt vetenskapligt/konstnärligt)abstract
- This book argues for the importance of the participants' perspective within both theory and practice on the function of augmentative and alternative communication (AAC) aids in everyday talk-in-interaction. Interactional approaches such as Conversation Analysis (CA) and Topical episode analysis are used to analyze and demonstrate the way participants make sense and display their understanding of AAC-mediated action. The book documents various practices and methods of the everyday use of AAC which can be applied clinically when establishing evidence-based assessment and intervention procedures. The book aims to bridge the gap between research and clinical practice, analyzes and explains the use of AAC aids, uses video recordings and transcriptions of naturally occurring, everyday talk-in-interacton, and demonstrates how the communicative context of the user's home is a powerful environment for learning and developing AAC use.
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Aktörer och marknader i omvandling : studier i företagandets historia tillägnade Kersti Ullenhag
- 2011
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Samlingsverk (redaktörskap) (övrigt vetenskapligt/konstnärligt)abstract
- This book is a Festschrift to professor emerita Kersti Ullenhag in honour of her 75th birthday. Kersti Ullenhag has been a teacher and researcher in economic history at Uppsala University since the mid 1960’s. Her research has focused on different aspects of business history, often combining micro-oriented empirical case studies with Schumpeterian theories on entrepreneurship. In 19 chapters this book deals with research topics such as the roots of business history,political economy, business and entrepreneurship, the development of financial markets and gender perspectives in business and society.
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