The NATO Advanced Study Institute on "Electronic Structure of Polymers and Molecular Crystals" was held at the Facultes Universi taires de Namur (F.U.N.) from September 1st till September 14th, 1974. We wish to express our appreciation to the NATO Scientific Affairs Division whose generous support made this Institute possible and to the Facultes Universitaires de Namur and the Societe Chimique de Belgique which provided fellowships and travel grants to a number of students. This volume contains the main lectures about the basic principles of the field and about different recent developments of the theory of the electronic structure of polymers and molecular crystals. The school started with the presentation of the basic SCF-LCAO theory of the electronic structure of periodic polymers and molecular crystals (contributions by Ladik, Andre & Delhalle) showing how a combination of quantum chemical and solid state physical methods can provide band structures for these systems. The numerical aspects of these calculations were also discussed. Lectures by Mahan have shown how optical properties of molecular crystals can be interpreted on the basis of the exciton theory. Little has reviewed the present status of the hypothesis about excitonic superconductivity and the different approaches to synthesize a superconductive polymer. McCubbin in his first series of lectures has given a very precise group theoretical treatment of the symmetry properties of polymers. Atkins' lectures have covered both the theoretical aspects of X-ray structure determination and its application to different polymers.

Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 90 years The Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.

Optoelectronic devices are currently being developed at an extraordinary rate. Organic light-emitting diodes, photovoltaic devices and electro-optical modulators are pivotal to the future of displays, photosensors and solar cells, and communication technologies. This book details the theories underlying the mechanisms involved in the relevant organic materials and covers, at a basic level, how the organic components are made. The first part of the book introduces the fundamental theories used to describe ordered solids and goes onto detail on concepts applicable to localised energy levels. Then the methods used to determine energy levels particular to perfectly ordered molecular and macromolecular systems are discussed along with a detailed consideration of the effects of quasi-particles. The function of excitons and their transfer between two molecules is studied and, in addition, the problems associated with interfaces and charge injection into resistive media are presented. More technological aspects are covered in the second part, which details the actual methods used to fabricate devices based on organic materials, such as dry etching. The principal characterisation techniques are also highlighted. Specific attention is paid to visual displays using organic light-emitting diodes; the conversion of photons into electrical energy (the photovoltaic effect); and for communications and information technologies, the electro-optical modulation of signals.

This book has grown out of several courses oflectures held at the University of Mainz in the years 1978 to 1981, at the Ecole Poly technique Federal, Lausanne, and at the University of Fribourg, Switzerland. The last two courses were held in the framework of the "3e Cycle" lectures in June 1981. According to this genesis, the emphasis of the book lies on a unified and concise approach to introducing polymer spectroscopy rather than on completeness which, by the way, could hardly be achieved in a single volume. In contrast to other books on this subject, equal weight is given to electronic spectroscopy, vibrational spectroscopy and spin resonance techniques. The electronic properties of polymers have been increasingly investigated in the last ten years; until recently, however, these studies and the spectroscopic methods applied have not generally been considered as part of polymer spectroscopy. The increasing use of electronic spectroscopy by polymer researchers, on the other hand, shows that this type of spectroscopy provides efficient tools for gaining insight into the properties of polymers which cannot be obtained by any other means.

Nonlinear Optical Properties of Organic Molecules and Crystals, Volume 1 discusses the nonlinear optical effects in organic molecules and crystals, providing a classical distinction between quadratic and cubic processes. This book begins with a general overview of the basic properties of organic matter, followed by a review on the benefits derived from quantum-chemistry-based models and growth and characterization of high quality, bulk organic crystals and waveguided structures. A case study focusing on a specific material, namely urea, which exemplifies a situation in which transparency in the UV region has been purposely traded for nonlinear efficiency is also deliberated. This text concludes with a description of a type of trade-off between the unpredictable orientation of molecules in crystalline media, polarity of liquid-crystalline structures, and dominant electronic contribution to the electro-optic effect. This publication is beneficial to solid-state physicists and chemists concerned with nonlinear optical properties of organic molecules and crystals.

In view of the rapid growth in both experimental and theoretical studies of multiphoton process and multiphoton spectroscopy of atoms, ions and molecules in chemistry, physics, biology, materials science, etc., it is desirable to publish an advanced series that contains review papers readable not only by active researchers in these areas, but also by those who are not experts in the field but who intend to enter the field. The present series attempts to serve this purpose. Each review article is written in a self-contained manner by the experts in the area so that the readers can grasp the knowledge in the area without too much preparation.

Written in the perspective of an experimental chemist, this book puts together some fundamentals from chemistry, solid state physics and quantum chemistry, to help with understanding and predicting the electronic and optical properties of organic semiconductors, both polymers and small molecules. The text is intended to assist graduate students and researchers in the field of organic electronics to use theory to design more efficient materials for organic electronic devices such as organic solar cells, light emitting diodes and field effect transistors. After addressing some basic topics in solid state physics, a comprehensive introduction to molecular orbitals and band theory leads to a description of computational methods based on Hartree-Fock and density functional theory (DFT), for predicting geometry conformations, frontier levels and energy band structures. Topological defects and transport and optical properties are then addressed, and one of the most commonly used transparent conducting polymers, PEDOT:PSS, is described in some detail as a case study.

This volume concentrates on the controversy within the scientific community over how to explain, understand and describe the photophysics/photochemistry of this class of materials.This controvery is of such a fundamental nature that the solution of the problem might be in a unification of the semiconductor and metal physics with the molecular quantum chemistry. Thus, a wide-ranging and comprehensive discussion of this very crucial issue has not been written down yet.This volume brings together the most prominent scientists specializing in this controversial topic. Each contributor addresses the opponents' arguments. After short introductory chapters, the contributors discuss their own speciality area and compare the results with both models and explain their position on why one of the models is more appropriate. Special emphasis is given to comparative discussions with other conjugated molecular systems as well as inorganic semiconductors.

Vols. for 1980- issued in three parts: Series, Authors, and Titles.

The NATO Advanced Study Institute on "Electronic Structure and Properties of Polymers" was held at the Facultes Universitaires de Namur (F.U.N.) from August 31 till September 14, 1977. We wish to express our deepest gratitude to the Scientific Affairs Division of NATO, the main sponsor of this Institute, and to the Facultes Universitaires Notre Dame de la Paix and their Board who gave us generous financial help as well as accommodation for the School. Our sincere thanks to Dr Tilo Kester from the NATO Scien tific Affairs Division and Prof. Roger Troisfontaines, Rector and President ~f the Facultes Notre Dame de la Paix. This volume contains the main lectures of the Institute. It is our great pleasure to thank all the lecturers for their most excellent and interesting lectures and for the clarity of their manuscripts. During the School the participants and lecturers felt that though there has been considerable progress in recent years in the methods applicable to the quantum theoretical treatment of polymers, not very many calculations of their properties have been performed. This is the reason that the title of this volume has been changed to "Quantum Theory of Polymers".