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Author: Anton Amann Publisher: Springer Science & Business Media ISBN: 9400930054 Category : Science Languages : en Pages : 334
Book Description
At the end of the workshop on "New Theoretical Concepts in Physical Chemistry", one of the participants made an attempt to present a first impression of its achievements from his own personal standpoint. Appar ently his views reflected a general feeling, so that the organizers thought they would be suitable as a presentation of the proceedings for future readers. That is the background from which this foreword was born. The scope of the workshop is a very broad one. There are contribu tions from mathematics, physics, crystallography, chemistry and biology; the problems are approached either by means of axiomatic and rigorous methods, or at an empirical phenomenological level. This same diversifi cation can be found in the new basic concepts presented. Some arise from pure theoretical investigation in C*-algebra or in quantum probability theory; others from an analysis of very complex experimental data like nuclear energy levels, or processes on the frontier between classical and quantum physics; others again have their origin in the discovery of new ordered structures like the icosahedral crystal phases, or the knots of DNA molecules; others follow from the application of ideas like frac tals or chaos to new fields like spectral theory or chemical reactions. It is to be expected that readers will have to face the same sort of difficulties as did the participants in understanding such diverse languages, in applying themselves to subjects possibly far from their own experience, and in grasping highly sophisticated new concepts.
Author: Anton Amann Publisher: Springer Science & Business Media ISBN: 9400930054 Category : Science Languages : en Pages : 334
Book Description
At the end of the workshop on "New Theoretical Concepts in Physical Chemistry", one of the participants made an attempt to present a first impression of its achievements from his own personal standpoint. Appar ently his views reflected a general feeling, so that the organizers thought they would be suitable as a presentation of the proceedings for future readers. That is the background from which this foreword was born. The scope of the workshop is a very broad one. There are contribu tions from mathematics, physics, crystallography, chemistry and biology; the problems are approached either by means of axiomatic and rigorous methods, or at an empirical phenomenological level. This same diversifi cation can be found in the new basic concepts presented. Some arise from pure theoretical investigation in C*-algebra or in quantum probability theory; others from an analysis of very complex experimental data like nuclear energy levels, or processes on the frontier between classical and quantum physics; others again have their origin in the discovery of new ordered structures like the icosahedral crystal phases, or the knots of DNA molecules; others follow from the application of ideas like frac tals or chaos to new fields like spectral theory or chemical reactions. It is to be expected that readers will have to face the same sort of difficulties as did the participants in understanding such diverse languages, in applying themselves to subjects possibly far from their own experience, and in grasping highly sophisticated new concepts.
Author: J.C. Tolédano Publisher: Springer Science & Business Media ISBN: 1461538165 Category : Science Languages : en Pages : 453
Book Description
Distinct scientific communities are usually involved in the three fields of quasi-crystals, of liquid crystals, and of systems having modulated crystalline structures. However, in recent years, there has been a growing feeling that a number of common problems were encountered in the three fields. These comprise the need to recur to "exotic" spaces for describing the type of order of the atomic or molecular configurations of these systems (Euclidian "superspaces" of dimensions greater than 3, or 4-dimensional curved spaces); the recognition that one has to deal with geometrically frustrated systems, and also the occurence of specific excitations (static or dynamic) resulting from the continuous degeneracies of the stable structures considered. In the view of discussing these problems, aNA TO-Advance Research Workshop has assembled in Preveza (Greece), in september 1989,50 experts of the three considered fields (with an equal proportion of theorists and experimentalists). 35 hours of conferences and discussions have led to a more detailed evaluation of the similarities and of the differences in the approaches implemented in the studies of the three types of systems. The papers contained in this NATO-series book provide the substance of this workshop. The reader will find three types of papers. Some very short papers giving the main ideas stated on a subject. Papers comprising 8-10 pages which stick closely to the contents of the talks presented. Longer papers providing more extensively the background and results relative to a given topic. It is worth summarizing the principal outputs of the workshop.
Author: J. Broeckhove Publisher: Springer Science & Business Media ISBN: 1489923268 Category : Science Languages : en Pages : 422
Book Description
From March 30th to April 3rd, 1992, a NATO Advanced Research workshop entitled "Time Dependent Quantum Molecular Dynamics: Theory and Experiment" was held at Snowbird, Utah. The organizing committee consisted of J. BROECKHOVE (Antwerp, Belgium), L. CEDERBAUM (Heidelberg, Germany), L. LATHOUWERS (Antwerp, Belgium), N. OHRN (Gainesville, Florida) and J. SIMONS (Salt Lake City, Utah). Fifty-two participants from eleven different countries attended the meeting at which thirty-three talks and one poster session were held. Twenty-eight participants submitted contributions to the proceedings of the meeting, which are reproduced in this volume. The workshop brought together experts in different areas 0 f molecular quantum dynamics, all adhering to the time dependent approach. The aim was to discuss and compare methods and applications. The ~amiliarityo~ the aUdience with the concepts o~ time dependent approaches greatly facilitated topical discussions and probing towards new applications. A broad area of subject matter was covered including time resolved laser chemistry, intramolecular dynamics, photodissociation dynamics, reactive and inelastic collisions as well as new time dependent methodologies. This diversity in applications is reflected in the contributions included in this volume .
Author: Csaba D. Toth Publisher: CRC Press ISBN: 1351645919 Category : Computers Languages : en Pages : 2354
Book Description
The Handbook of Discrete and Computational Geometry is intended as a reference book fully accessible to nonspecialists as well as specialists, covering all major aspects of both fields. The book offers the most important results and methods in discrete and computational geometry to those who use them in their work, both in the academic world—as researchers in mathematics and computer science—and in the professional world—as practitioners in fields as diverse as operations research, molecular biology, and robotics. Discrete geometry has contributed significantly to the growth of discrete mathematics in recent years. This has been fueled partly by the advent of powerful computers and by the recent explosion of activity in the relatively young field of computational geometry. This synthesis between discrete and computational geometry lies at the heart of this Handbook. A growing list of application fields includes combinatorial optimization, computer-aided design, computer graphics, crystallography, data analysis, error-correcting codes, geographic information systems, motion planning, operations research, pattern recognition, robotics, solid modeling, and tomography.
Author: Anton Amann Publisher: Springer Science & Business Media ISBN: 1489902120 Category : Science Languages : en Pages : 247
Book Description
Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties. Advanced approaches to molecular similarity analysis have their foundation in quantum similarity measures, and are important direct or indirect contributors to some of the predictive theoretical, computational, and also experimental methods of modern chemistry. This volume provides a survey of the foundations and the contemporary mathematical and computational methodologies of molecular similarity approaches, where special emphasis is given to applications of similarity studies to a range of practical and industrially significant fields, such as pharmaceutical drug design. The authors of individual chapters are leading experts in various sub-fields of molecular similarity analysis and the related fundamental theoretical chemistry topics, as well as the relevant computational and experimental methodologies. Whereas in each chapter the emphasis is placed on a different area, nevertheless, the overall coverage and the wide scope of the book provides the reader with a general yet sufficiently detailed description that may serve as a good starting point for new studies and applications of molecular similarity approaches. The editors of this volume are grateful to the authors for their contributions, and hope that the readers will find this book a useful and motivating source of information in the rapidly growing field of molecular similarity analysis.
Author: Akio Kawauchi Publisher: Birkhäuser ISBN: 3034892276 Category : Mathematics Languages : en Pages : 431
Book Description
Knot theory is a rapidly developing field of research with many applications, not only for mathematics. The present volume, written by a well-known specialist, gives a complete survey of this theory from its very beginnings to today's most recent research results. An indispensable book for everyone concerned with knot theory.
Author: Tadeusz Lulek Publisher: #N/A ISBN: 9814569658 Category : Languages : en Pages : 440
Book Description
The contents survey the achievements and research problems connected with an adequate description of condensed matter structure, its phases and other properties in terms of appropriate mathematical tools. The focus is on the following topics: Action of groups on sets and broken symmetries; Racah-Wigner approach to vibrations, electronic states, correlations and superconductivity in multicenter systems; crystallography and its extension.
Author: Andrzej Plonka Publisher: Springer Science & Business Media ISBN: 9401596581 Category : Science Languages : en Pages : 238
Book Description
Dynamical processes in which many timescales coexist are called dispersive. The rate coefficients for dispersive processes depend on time. In the case of a chemical reaction, the time dependence of the rate coefficient, k(t), termed the specific reaction rate, is rationalized in the following way. Reactions by their very nature have to disturb reactivity distributions of the reactants in condensed media, as the more reactive species are the first ones to disappear from the system. The extent of this disturbance depends on the ratio of the rates of reactions to the rate of internal rearrangements (mixing) in the system restoring the initial distribution in reactivity of reactants. If the rates of chemical reactions exceed the rates of internal rearrangements, then the initial distributions in reactant reactivity are not preserved during the course of reactions and the specific reaction rates depend on time. Otherwise the extent of disturbance is negligible and classical kinetics, with a constant specific reaction rate, k, termed the reaction rate constant, may be valid as an approximation. In condensed media dispersive dynamical processes are endemic and this is the first monograph devoted to these processes.
Author: Anton Amann
Author: Anton Amann
Author: J.C. Tolédano
Author: J. Broeckhove
Author: Gomes Agostinho
Author: Csaba D. Toth
Author: Anton Amann
Author: National Research Council Canada
Author: Akio Kawauchi
Author: Tadeusz Lulek
Author: Andrzej Plonka