Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating the strengths and weaknesses of particular approaches or functionals. The structure and content of this book allow a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Green's function or response functions - are introduced step by step, along with the actual DFT material. The same applies to basic notions of solid state theory, such as the Fermi surface of inhomogeneous, interacting systems. In fact, even the language of second quantization is introduced systematically in an Appendix for readers without formal training in many-body theory.
Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating the strengths and weaknesses of particular approaches or functionals. The structure and content of this book allow a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Green's function or response functions - are introduced step by step, along with the actual DFT material. The same applies to basic notions of solid state theory, such as the Fermi surface of inhomogeneous, interacting systems. In fact, even the language of second quantization is introduced systematically in an Appendix for readers without formal training in many-body theory.
Designed as a textbook for use in courses on natural theology and used by Immanuel Kant as the basis for his Lectures on The Philosophical Doctrine of Religion, Johan August Eberhard's Preparation for Natural Theology (1781) is now available in English for the first time. With a strong focus on the various intellectual debates and historically significant texts in late renaissance and early modern theology, Preparation for Natural Theology influenced the way Kant thought about practical cognition as well as moral and religious concepts. Access to Eberhard's complete text makes it possible to distinguish where in the lectures Kant is making changes to what Eberhard has written and where he is articulating his own ideas. Identifying new unexplored lines of research, this translation provides a deeper understanding of Kant's explicitly religious doctrines and his central moral writings, such as the Groundwork of the Metaphysics of Morals and the Critique of Practical Reason. Accompanied by Kant's previously untranslated handwritten notes on Eberhard's text as well as the Danzig transcripts of Kant's course on rational theology, Preparation for Natural Theology features a dual English-German / German-English glossary, a concordance and an introduction situating the book in relation to 18th-century theology and philosophy. This is a significant contribution to twenty-first century Kantian studies.
It is a commonplace that pollution knows no borders, and that environmental law must allow for cross-border implementation. The European Union specifies this principle in EC directives on integrated pollution prevention and control (IPPC), on environmental impact assessment (EIA), and on the control of major accident hazards involving dangerous substances (Seveso II). This is the first book to investigate from both empirical and normative perspectives the effectiveness of these directives at the national level. It provides by far the most extensive comparative analysis and evaluation of the industrial permitting and inspections, EIA, and major accident prevention in the EU. Offering an in-depth study of the transposition and implementation of EC environmental directives in eight EU member states (Denmark, France, Germany, Italy, the Netherlands, Spain, Sweden, and the United Kingdom), the author who has played a significant role in the formulation of environmental legislation and regulation at both the national (German) and EU levelsand¿provides a stable base for an assessment of the benefits and costs of the integrated approach to environmental protection. Among the factors considered are the following: key features of national constitutional, administraand¬tive, and judicial systems which provide the framework for environand¬mental regulations and their implementation in the eight countries under study; procedures and substantive requirements transposing the IPPC, EIA and Seveso II directives into national laws; and evaluation of national deficiencies and the extent of muddling through. The empirical part of Dr Bohne's analysis draws on 138 expert interviews with public and private actors, a survey of 178 public authorities, and document analyses of selected industrial permits and environmental impact statements. His comparative analysis of procedural, organizational, and substantive integration makes it possible to identify and compare national accomplishments in regulatory integration, and offers new insights into the effectiveness and limits of EC law. The study concludes with a discussion of the implications of the findings for European governance and better regulation after the enlargement of the EU. This thoroughly researched, rigorous, and insightful study will be of great interest and value to policymakers, regulators, business people, environmental NGOs, consultants, and lawyers, as well as to students of environmental policies and European governance.
This entirely new English edition, comprehensively revised and edited by T.L. Blockeel, has been translated from German, with some additional text, by the authors. In a single volume, this work provides users with the means of making at least a preliminary identification of any bryophyte or fern which they might encounter in Europe or Macaronesia.
The Peptides, Volume I: Methods of Peptide Synthesis focuses on detailed description of protecting groups, individual amino acids, and coupling reactions. The publication first offers information on amino-protecting and carboxyl-protecting groups, including carboxyl protection by salt formation, esterification, and amide formation and acyl-type, alkyl-type, and urethane protecting groups. The text then examines the formation of the peptide bond and amino acids. Discussions focus on amino acids with the alcoholic hydroxyl group, sulfur amino acids, basic and acidic amino acids, synthesis of peptides by activation of the amino group, and peptide synthesis by activation of the carboxyl group. The manuscript elaborates on the synthesis of cyclic peptides, depsipeptides, peptoids, and the plastein reaction. Topics include synthesis of plastein-active peptides, glycopeptides, phosphopeptides, and S-peptides. The publication is a dependable source of data for readers interested in the methods of peptide synthesis.
In this third volume of his modern introduction to quantum field theory, Eberhard Zeidler examines the mathematical and physical aspects of gauge theory as a principle tool for describing the four fundamental forces which act in the universe: gravitative, electromagnetic, weak interaction and strong interaction. Volume III concentrates on the classical aspects of gauge theory, describing the four fundamental forces by the curvature of appropriate fiber bundles. This must be supplemented by the crucial, but elusive quantization procedure. The book is arranged in four sections, devoted to realizing the universal principle force equals curvature: Part I: The Euclidean Manifold as a Paradigm Part II: Ariadne's Thread in Gauge Theory Part III: Einstein's Theory of Special Relativity Part IV: Ariadne's Thread in Cohomology For students of mathematics the book is designed to demonstrate that detailed knowledge of the physical background helps to reveal interesting interrelationships among diverse mathematical topics. Physics students will be exposed to a fairly advanced mathematics, beyond the level covered in the typical physics curriculum. Quantum Field Theory builds a bridge between mathematicians and physicists, based on challenging questions about the fundamental forces in the universe (macrocosmos), and in the world of elementary particles (microcosmos).
the Roof Construction Manual is a comprehensive reference work on the construction of pitched roofs, containing over 1800 plans and 220 photographs. Thirteen fundamental roof types and the relevant materials including thatch, wood, slate, tile, concrete, fibrous cement, bitumen, glass, metal, membranes, and synthetic materials are documented in detail. Essential topics such as ventilation, vapour and wind seals, insulation and drainage, renovation and energy conservation are examined. As with all the Construction Manuals, some 38 built examples illustrate the theoretical details, paying particular attention to important features such as the ridge, hip, eaves, roof valley, verge, and penetration. A compact presentation of the load-bearing physics and structures as well as current norms and standards make this volume an indispensable standard work for all architects and engineers.
This book is a collection of conference proceedings mainly concerned with the problem class of nonlinear transport/diffusion/reaction systems, chief amongst these being the Navier-Stokes equations, porous-media flow problems and semiconductor-device equations. Of particular interest are unsolved problems which challenge open questions from applications and assess the various numerous methods used to treat them. A fundamental aim is to raise the overall awareness of a broad range of topical issues in scientific computing and numerical analysis, including multispecies/multiphysics problems, discretisation methods for nonlinear systems, mesh generation, adaptivity, linear algebraic solvers and preconditioners, and portable parallelisation. nbsp;
To honour W C Rntgen and review the entire area of X-ray development in the various fields of natural, technical, and life sciences, his successors at the Physikalisches Institut of the Universitt Wrzburg organized a conference, named ?Rntgen Centennial?. It took place at the new ?Physikalisches Institut? not far from the historical site shortly before the actual 100th anniversary of the discovery. Over forty renowned scientists were invited as representative speakers in the various subfields of X-ray activities. They reviewed the development, gave examples, and described the present status. Most of them provided survey articles, which are gathered in this book. Since most X-ray-related activities are somehow represented, an almost complete overview of the entire field is provided. This book thus represents the enormous breadth of X-ray activities and allows one to recognize the potential and quality of today's X-ray research.
Density Functional Theory is a rapidly developing branch of many-particle physics that has found applications in atomic, molecular, solid-state and nuclear physics. This book describes the conceptual framework of density functional theory and discusses in detail the derivation of explicit functionals from first principles as well as their application to Coulomb systems. Both non-relativistic and relativistic systems are treated. The connection of density functional theory with other many-body methods is highlighted. The presentation is self-contained; the book is, thus, well suited for a graduate course on density functional theory.
The Weimar Republic provides both a clear historical narrative of this critical period in German history and a detailed analysis of the scholarly research in the field
Biogenic toxins are fascinating natural products characterized by an enormous diversity of chemical structures and pharmacological activities. They not only pose hazards to humans and animals, but they are important components in the interplay of substances and living beings in nature and, moreover, important sources for new drugs. Numerous images of plants and chemical structural formulas complete the book, as well as extensive references for further reading. The multivolume reference is an essential resource for physicians, veterinarians, pharmacists, chemists, biochemists, food chemists and biologists, for students in the relevant fields, and maybe for interested laymen. Natural Poisons and Venoms in 5 Volumes: Volume 1: Plant Toxins: Terpenes and Steroids 2023, ISBN 978-3-11-072472-1 Volume 2: Plant Toxins: Polyketides, Phenylpropanoids and Further Compounds 2024, ISBN 978-3-11-072851-4 Volume 3: Plant Toxins: Alkaloids and Lectins 2025, ISBN 978-3-11-112740-8 Volume 4: Animal Toxins 2023, ISBN 978-3-11-072854-5 Volume 5: Fungal and Microbial Toxins 2025, ISBN 978-3-11-072856-9 All aspects of natural toxins based on the latest scientific knowledge are included:
In early modern times, the city of Seville was the most important entrept̥ between the Old and the New World, attracting numerous merchants from all of Europe. They provided the American market with European merchandise, especially with textiles and metalware from Flanders and France. This book investigates the networks of Flemish and French merchants in Seville, displaying overall structures of trade as well as collective strategies of both merchant colonies.
Science has development from a self-evident public good to being highly valued in other contexts for different reasons: strengthening the economic competitiveness and, especially in high-tech fields, as a financial investment for future gains. This has been accompanied by a shift from public to private funding with intellectual property rights gaining importance. But in contemporary democracies citizens have also begun to voice their concerns about science and technology related risks, demanding greater participation in decision-making and in the setting of research priorities. The book examines the legal issues and responses vis-à-vis these transformations of the nature of public science. It discusses their normative content as well as the inherent limitations of the law in meeting these challenges.
Solid-solution equilibria of marine evaporites are important in a wide range of science and technology. However, the data had not yet been summarized in a form that is at the same time comprehensive and permits to understand how the quinary seawater system builds up from its bounding systems. Thus the goal of the present volume is at the same time scientific and educational. The understanding of solid-solution equilibria of the various systems with respect to dissolution, precipitation and transformation of solids, their application to the evolution of brines, and a fast access to data is a necessary requirement for any modelling, especially in Geoscience. Another goal is to show the avail ability of data. Unfortunately, though solubility data are numereous there are substantial gaps, especially with respect to high temperatures. But also up to about 100 0 C data are missing for some of the systems so that they cannot be described entirely. Based on the present volume further work on the solubili ties of the minerals of marine evaporites may be promoted. The data have been viewed and collected over several years by the first author. The second author entered the preparation of the volume when it was realized that besides graphics and tables a fast access to data was required. Although both authors are responsible for the whole volume, responsibility is weighted somewhat differently for the various parts.
In this lavishly illustrated, first-ever book on how spider webs are built, function, and evolved, William Eberhard provides a comprehensive overview of spider functional morphology and behavior related to web building, and of the surprising physical agility and mental abilities of orb weavers. For instance, one spider spins more than three precisely spaced, morphologically complex spiral attachments per second for up to fifteen minutes at a time. Spiders even adjust the mechanical properties of their famously strong silken lines to different parts of their webs and different environments, and make dramatic modifications in orb designs to adapt to available spaces. This extensive adaptive flexibility, involving decisions influenced by up to sixteen different cues, is unexpected in such small, supposedly simple animals. As Eberhard reveals, the extraordinary diversity of webs includes ingenious solutions to gain access to prey in esoteric habitats, from blazing hot and shifting sand dunes (to capture ants) to the surfaces of tropical lakes (to capture water striders). Some webs are nets that are cast onto prey, while others form baskets into which the spider flicks prey. Some aerial webs are tramways used by spiders searching for chemical cues from their prey below, while others feature landing sites for flying insects and spiders where the spider then stalks its prey. In some webs, long trip lines are delicately sustained just above the ground by tiny rigid silk poles. Stemming from the author’s more than five decades observing spider webs, this book will be the definitive reference for years to come.
A First Course in Systems Biology is an introduction for advanced undergraduate and graduate students to the growing field of systems biology. Its main focus is the development of computational models and their applications to diverse biological systems. The book begins with the fundamentals of modeling, then reviews features of the molecular inventories that bring biological systems to life and discusses case studies that represent some of the frontiers in systems biology and synthetic biology. In this way, it provides the reader with a comprehensive background and access to methods for executing standard systems biology tasks, understanding the modern literature, and launching into specialized courses or projects that address biological questions using theoretical and computational means. New topics in this edition include: default modules for model design, limit cycles and chaos, parameter estimation in Excel, model representations of gene regulation through transcription factors, derivation of the Michaelis-Menten rate law from the original conceptual model, different types of inhibition, hysteresis, a model of differentiation, system adaptation to persistent signals, nonlinear nullclines, PBPK models, and elementary modes. The format is a combination of instructional text and references to primary literature, complemented by sets of small-scale exercises that enable hands-on experience, and large-scale, often open-ended questions for further reflection.
A remarkable achievement by a single author...concise but informative...No geneticist or physician interested in genetic diseases should be without a copy of this remarkable edition. --American Journal of Medical GeneticsMore than ever, a solid understanding of genetics is a fundamental element of all medical and scientific educational programs, across virtually all disciplines. And the applications--and implications--of genetic research are at the heart of current medical scientific debates. Completely updated and revised, The Color Atlas of Genetics is an invaluable guide for students of medicine and biology, clinicians, and anyone else interested in this rapidly evolving field. The latest edition of this highly praised atlas retains several popular features, such as the accessible layout and logical structure, in addition to many novel features and 20 completely new color plates on new topics, including: Cell-to-cell communication, including important signaling and metabolic pathways Taxonomy of living organisms (tree of life) Epigenetic modifications in chromatin Apoptosis RNA interference (RNAi) Comparative genomic hybridization Origins of cancer Principles of gene and stem cell therapy, etc. With more than 200 absorbing full-color plates concisely explained on facing pages, the atlas offers readers an easy-to-use, yet remarkably detailed guide to key molecular, theoretical, and medical aspects of genetics and genomics. Brief descriptions of numerous genetic diseases are included, with references for more detailed information.Readers will find that this incomparable book presents a comprehensive picture of the field from its fascinating history to its most advanced applications.
This volume provides a comprehensive account of the use of modern imaging procedures for the diagnosis of arterial and venous diseases. Each imaging modality is separately considered and applications in individual diseases are then explained with the aid of excellent illustrations. In addition, vascular interventions such as balloon angioplasty, local thrombolysis, and stent implantation are discussed and appraised. Special attention is devoted to the problem of radiation burden for patients. The authors are all recognized experts in angiology, phlebology, and interventional radiology.
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