Kvantekemi og teoretisk kemi

This is the eighth volume in the series "e;Mathematics in Industrial Prob- lems."e; The motivation for these volumes is to foster interaction between Industry and Mathematics at the "e;grass roots level"e;; that is, at the level of specific problems. These problems come from Industry: they arise from models developed by the industrial scientists in ventures directed at the manufacture of new or improved products. At the same time, these prob- lems have the potential for mathematical challenge and novelty. To identify such problems, I have visited industries and had discussions with their scientists. Some of the scientists have subsequently presented their problems in the IMA Seminar on Industrial Problems. The book is based on the seminar presentations and on questions raised in subsequent discussions. Each chapter is devoted to one of the talks and is self-contained. The chapters usually provide references to the mathematical literature and a list of open problems that are of interest to industrial scientists. For some problems, a partial solution is indicated briefly. The last chapter of the book contains a short description of solutions to some of the problems raised in the previous volume, as well as references to papers in which such solutions have been published.

This book presents a comprehensive overview of the fundamental concept, design, working protocols, and diverse photo-chemicals aspects of different solar cell systems with promising prospects, using computational and experimental techniques. It presents and demonstrates the art of designing and developing various solar cell systems through practical examples. Compared to most existing books in the market, which usually analyze existing solar cell approaches this volume provides a more comprehensive view on the field. Thus, it offers an in-depth discussion of the basic concepts of solar cell design and their development, leading to higher power conversion efficiencies. The book will appeal to readers who are interested in both fundamental and application-oriented research while it will also be an excellent tool for graduates, researchers, and professionals working in the field of photovoltaics and solar cell systems.

In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented, including fragment- and ligand-based approaches. Many successful practical applications of these techniques are demonstrated. The authors also look to the future and describe the main challenges of the field.

A summary of the most important results in the existence and stability of periodic solutions for ordinary differential equations achieved in the twentieth century, along with relevant applications. It differs from standard classical texts on non-linear oscillations in that it also contains linear theory; theorems are proved with mathematical rigor; and, besides the classical applications such as Van der Pol's, Linard's and Duffing's equations, most applications come from biomathematics. For graduate and Ph.D students in mathematics, physics, engineering, and biology, and as a standard reference for use by researchers in the field of dynamical systems and their applications.

Die dritte Auflage der Quantenmechanik fur Fortgeschrittene wurde grundlegend uberarbeitet und behandelt die weiterfuhrenden Themen Vielteilchensysteme, Relativistische Wellengleichungen und Relativistische Felder. Die bereits in der Quantenmechanik des gleichen Autors uberzeugende stringente mathematische Darstellung wird durch die Angabe aller Zwischenschritte, durch zahlreiche Anwendungsbeispiele im Text und Ubungen erganzt. Der Text legt insbesondere durch Darstellung der relativistischen Wellengleichungen und ihrer Symmetrieeigenschaften sowie der quantenfeldtheoretischen Grundlagen das Fundament fur das weitere Studium von Festkorperphysik, Kern- und Elementarteilchenphysik und ist im gesamten Hauptstudium ein unentbehrlicher Begleiter.

Molekulphysik und Quantenchemie fuhrt systematisch und leicht zuganglich in die Grundlagen der beiden Gebiete ein, wie es zum Verstandnis der physikalischen Eigenschaften von Molekulen und der chemischen Bindung erforderlich ist. Aufbauend auf Grundkenntnissen aus der Atom- und Quantenphysik (von den gleichen Autoren) vermittelt es den Studenten der Physik, der Physikalischen Chemie und der Theoretischen Chemie die experimentellen und theoretischen Grundlagen und deren Wechselwirkung. Die vorliegende vierte Auflage wurde um wesentliche aktuelle Entwicklungen experimenteller Methoden und theoretischer Ansatze erweitert. Ebenso ist ein neues Kapitel zu Einzelmolekulen u. Einzelmolekul-Spektroskopie hinzugekommen. 133 Aufgaben vervollstandigen das Buch. Die dazugehorigen Losungen konnen im Internet abgerufen werden.

Comment poser et résoudre les équations de Maxwell ? On présente ici les outils nécessaires : formulations faibles, éléments d¿arêtes, méthodes intégrales, en insistant sur la modélisation, c¿est-à-dire la « mise en équations » de situations concrètes : il y a en effet, pour chaque catégorie de problèmes en électrotechnique (chauffage par induction, machines et moteurs électriques, cavités résonnantes, etc.), un modèle mathématique approprié, qüil faut savoir dériver des équations fondamentales. Pour chacun des modèles étudiés dans ce livre (« Maxwell complet », « conduction », « ondes en milieu borné », etc.) on donne la formulation appropriée et la version « discrétisée », c¿est-à-dire exploitable sur un ordinateur, que la méthode des éléments finis permet d¿en déduire.Depuis sa rédaction, ce cours a été enseigné dans plusieurs formations doctorales européennes, destinées à des ingénieurs en électrotechnique et à des étudiants en analyse numérique. La présente réédition a été revue et corrigée en fonction de cette expérience, avec une bibliographie complétée. Bagage mathématique requis: algèbre et analyse numérique linéaire, et quelque familiarité avec la méthode des éléments finis. On ne suppose pas de connaissances préalables en électricité.

This booklet is mainly meant for students at universities and colleges to solve problems in the field of power and chemical engineering, where water and steam are serving as working or process medium. Tables and diagrams will support engineers in research work and industrial practice too. All tabulated values given were recalculated; the thermodynamical properties have been calculated according to the 1984 IAPS formulation, the remaining properties result from IAPS`s current releases. The increments for temperature and pressure for the saturation tables were decreased. In addition ten properties were added. Three new h,s-diagrams for compressed water will be useful in geographical and in jet cutting applications.

This book, suitable for undergraduates in chemistry, describes atomic orbitals in detail and is illustrated by three-dimensional plots of the mathematical functions (no artists' impressions). It then extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems, atomic spectroscopy and paramagnetism.

Includes a presentation of a qualitative theory of chemical bonding stressing the physical processes which occur on bond formation. This title does not seek to rationalize the phenomena of bonding by a series of mnemonic rules. It presents a unified and consistent treatment across all types of bonding in organic, inorganic and physical chemistry.

Synthesizing the current research on carbon materials, this volume explores how varying methods can be combined while presenting how new carbon structures are predicted. The text serves as an up-to-date survey on the theoretical and computational research on novel carbon systems.