Quantum and theoretical chemistry

The second edition of this book again enjoyed a very positive reception from both uni- versity teachers and students.

Quantum chemistry and solid-state theory are two important related fields of research that have grown up with almost no cross communication.

In recent decades solid state physics has seen many dramatic new developments and has become one of the largest independent branches of physics.

This fourth edition contains a few additional figures.

Crystallographers have to apply many mathematical methods in their daily work.

Dieses Lehrbuch wendet sich an Studenten der Physik, der Naturwissenschaften oder der Elektrotechnik ab 3.

A researcher trying to predict or interpret spectra oftransition metal ionsin possible laser host materials isconfronted with a variety of different methods of describingthe same physical situation.

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.

Die Analyse diskret gesteuerter Systeme beschränkt sich bisher auf die Möglichkeiten der Simulation; für zeitlich parallele, nebenläufige Prozesse benötigt man als weiteres, leistungsfähiges Instrument die Petri-Netze.

Impressive advances have been made in the study of atomic structures, at both the experimental and theoretical levels.

Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES).

The book provides a general, broad approach to aspects of perturbation theory.

The present volume contains the text of the invited lectures presented at the Symposium on Many- Body Methods in Quantum Chemistry, held on the campus of Tel Aviv University in August 1988.

One of the most interesting fields of mathematically oriented chemical research is the so-called computer-assisted organic synthesis design.

This book presents a computational scheme for calculating the electronic properties of crystalline systems at an ab-ini tio Hartree-Fock level of approximation.

This lecture note gives an analysis of electronic structure effects for a new class of molecular solids, i.

The purpose of these notes is to give some simple tools and pictures to physicists and ' chemists working on the many-body problem.

The bond diagrammatic representation of molecules is the foundation of MOVB theory.

This book provides qualitative molecular orbital and valence-bond descriptions of the electronic structures for electron-rich molecules, with strong emphasis given to the valence-bond approach.

The lattice dynamics of molecular crystals has undergone an enor- mous progress in these last twenty years or so.

The aim of these notes is to offer a modern picture of the pertur- bative approach to the calculation of intermolecular forces.

Analytical chemistry of the recent years is strongly influenced by automation.

1.

Since the discovery of quantum mechanics,more than fifty years ago,the theory of chemical reactivity has taken the first steps of its development.

Until recently quantum chemical ab initio calculations were re- stricted to atoms and very small molecules.

Traditionally, when one deals with crystals, the first property to be presented is the periodicity of the lattice, and all methods of study are based on this characteristic, which is considered essential.

Introduction 1 1.

Dieser Buchtitel ist Teil des Digitalisierungsprojekts Springer Book Archives mit Publikationen, die seit den Anfängen des Verlags von 1842 erschienen sind.

In the last hundred years benzenoid hydrocarbons have constantly attracted the attention of both experimental and theoretical chemists.

Density Functional Theory is a rapidly developing branch of many-particle physics that has found applications in atomic, molecular, solid-state and nuclear physics.

1.

This book originated from a course which I developed for the Master's degree course in Molecular Engineering in Kyoto University.

The quantum theory of magnetism is a well-developed part of contemporary solid-state physics.

Strutural Analysis of Point Defects in Solids introduces theprinciples and techniques of modern electron paramagneticresonance (EPR) spectroscopy essentialfor applications tothe determination of microscopic defectstructures.

Die Simulation wird in der Regelungstechnik zum Entwurf von Regelkreisen, zur Prozeßüberwachung sowie zur regelungstechnischen Ausbildung genutzt.

This book presents a method which is capable of evaluating the deformation characteristics of thin shell structures A free vibration analysis is chosen as a convenient means of studying the displacement behaviour of the shell, enabling it to deform naturally without imposing any particular loading conditions.

Any description of the workings of nature by means of measurements and ob- servations is beset with the problem of how to cope with an immense amount of information.

In recent years, the performance of digital computers has been improved by the rapid development of electronics at remarkable speed.

The aim of this book is to provide a new angle on the analysis of slope stability with the Boundary Element Method.

The first edition of this book was published in 1978 and a new Spanish e(,tition in 1989.

Considering aspects of symmetry rules in chemistry, one is faced with con- tradictory terms as for example, "e;90 % concertedness"e; sometimes being used in literature.

From the preface: Fluid dynamics is an excellent example of how recent advances in computational tools and techniques permit the rapid advance of basic and applied science.