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The goal of this monograph is to summarize the different quantum mechanical methods developed in the last 20 years to treat the electronic structure of polymers. Owing to the nature of the problem, these methods consist of a mixture of quantum-chemical and solid-state physical tech niques. The theory described in Part I treats, besides the Hartree-Fock problem, the· electron correlation, and it has also been developed for disordered polymeric systems. Though for obvious reasons the book could not include all the existing calculations, each new method des cribed is illustrated by a few applications, with a discussion of the numerical results obtained. Far more details see the Introduction to Part I. The second part contains the theoretical calculation of different properties of polymers based on the methods systematically introduced in the first part. The properties calculated include the electronic and vibrational spectra of polymers, and the computation of their transport, magnetic, and mechanical properties. In cases where reliable ex perimental data are available, the theoretical results are compared with them.
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".
Advances in Quantum Chemistry
What is biophysics? As with all subjects which straddle traditional boundaries between fields, it eludes a precise definition. Furthermore, it is impossible to do biophysics without having a certain foundation of knowledge in biology, physics, physical chemistry, chemistry and biochemistry. One approach to a biophysics textbook would be to refer the student to the literature of these neighboring fields, and to leave the selection of the appropriate supplementary material up to the student. The editors of this volume are of the opinion that it is more useful and less time-consuming to present a selection of the supplementary knowledge, in concentrated form, together with the subject matter sp...
A "Festschrift" volume fulfils a more far-reaching purpose than the laudatory one. It shows how science develops as a result of the activities - scientific and organizational - of an individual person. Scientific achievement cannot be subjected to the very refined measurement techniques of science itself, but there is a continuous mutual evaluation among scientists which manifests itself through refereeing, literature citation and dedicatory volumes like the present one. Near and distant associates of Per-Olov Lowdin were enthusiastic about the idea of a tribute to him in the form of a collection of scientific papers on the occasion of his sixtieth birthday. Monographs and journals have fair...
This volume contains the proceedings of the NATO-Advanced Study Institute on the "Spectroscopy of Biological Molecules", which took place on July 4-15, 1983 in Acquafredda di Maratea, Italy. The institute concentrated on three main subiects: the structure and dymanics of DNA, proteins, and visual and plant pigments. Its timeliness has been linked to rapid advances in certain spectroscopic techniques which yielded a consider able amount of new information on the structure and inter actions of biologically important molecules. Among these techniques Fourier transform infrared, resonance and surface enhanced 'Raman spectroscopies, Raman microscopy and micro probing, time resolved techniques, tw...
The Novel Mechanisms of Superconductivity Conference was initially conceived in the early part of 1986 as a small, 2-1/2 day workshop of 40-70 scientists, both theorists and experimentalists interested in exploring the possible evidence for exotic, non phononic superconductivity. Of course, the historic discoveries of high temperature oxide superconductors by Bednorz and Mftller and the subsequent enhancements by the Houston/Alabama groups made such a small conference impractical. The conference necessarily had to expand, 2-1/2 days became 4-1/2 days and superconductivity in the high Tc oxides became the largest single topic in the workshop. In fact, this conference became the first major conference on this topic and thus, these proceedings are also the first maj or publication. However, heavy fermion, organic and low carrier concentration superconductors remained a very important part of this workshop and articles by the leaders in these fields are included in these proceedings. Ultimately the workshop hosted rearly 400 scientists, students and media including representatives from the maj or research groups in the U.S., Europe, Japan and the Soviet Union.
Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves of major developments in the area. Specialist Periodical Reports provide systematic and detailed...
The Novartis Foundation Series is a popular collection of the proceedings from Novartis Foundation Symposia, in which groups of leading scientists from a range of topics across biology, chemistry and medicine assembled to present papers and discuss results. The Novartis Foundation, originally known as the Ciba Foundation, is well known to scientists and clinicians around the world.
This book contains papers presented at the International Conference on Organic Superconductivity which was held May 20-24, 1990, at the Stanford Sierra Conference Center, South Lake Tahoe, California. In the twenty years since the First Conference on Organic Superconductivity was held (Hawaii, 1969), there has been remarkable progress in the field. At present, development is accelerating with contributions from many groups in many countries worldwide. The discovery of high Tc superconductivity by G. Bednorz and K. Muller in 1986 and subsequent developments in the ceramic superconductors have had an enormous impact on the field of superconductivity as a whole. This discovery occurred in an ar...