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Electron-Molecule and Photon-Molecule Collisions
The First Asilomar Conference on Electron- and Photon-Molecule Collisions was held August 1-4, 1978 in Pacific Grove, California. This meeting brought together forty scientists who are actively involved in theoretical studies of electron scattering by, and photoionization of, small molecules. In this volume, are collected the contributions of the invited speakers, as well as the roundtable and evening discussions condensed from taped recordings of the entire proceedings. The subject matter reflects current activity in the field and describes many of the techniques that are being developed and applied to molecular collision problems. We would like to thank the Air Force Office of Scientific R...
Quantum Systems in Chemistry and Physics
These two volumes together comprise forty papers coming from the most outstanding contributions to the third European Quantum Systems in Chemistry and Physics Workshop held in Granada, Spain (1997). These books cover a very broad spectrum of scientific research work from quantum-mechanical many-body methods to important applications and computational developments, and from atoms and molecules to condensed matter. The first volume is subtitled Basic Problems and Model Systems, and includes the following topics: density matrices and density functionals, electron correlation effects, relativistic formulations, valence theory, and nuclear motions. The second volume is subtitled Advanced Problems and Complex Systems and covers the following topics: response theory, condensed matter, reactive collisions and chemical reactions, and computational chemistry and physics.
Computational Chemistry
This book presents an overview of recent progress in computational techniques as well as examples of the application of existing computational methods in different areas of chemistry, physics, and biochemistry. Introductory chapters cover a broad range of fundamental topics, including: state-of-the-art basis set expansion methods for computing atomic and molecular electronic structures based on the use of relativistic quantum mechanics; the most recent developments in Hartree-Fock methods, particularly in techniques suited for very large systems; the current analysis of the solute-solvent free energy of interaction and the physical bases used to evaluate the electrostatic, cavitation, and di...
Recent Progress in Coupled Cluster Methods
I feel very honored that I have been asked to write a Foreword to this book. The subject of the book – “Coupled cluster theory” – has been around for about half a century. The basic theory and explicit equations for closed-shell ground states were formulated before 1970. At the beginning of the seventies the rst ab initio calcu- tion were carried out. At that time speed and memory of computers were very limited compared to today’s standards. Moreover, the size of one-electron bases employed was small, so that it was only possible to achieve an orientation in methodical aspects rather than to generate new signi cant results. Extensive use of the coupled-cluster method started at the...
Condensed Matter Theories
This volume gathers the invited talks of the XIII International Work shop on Condensed Matter Theories which took place in Campos do Jordao near Sao Paulo, Brazil, August 6-12, 1989. It contains contributions in a wide variety of fields including neutral quantum and classical fluids, electronic systems, composite materials, plasmas, atoms, molecules and nuclei, and as this year's workshop reflected the natural preoccupation in materials science with its spectacular prospect for mankind, room tempera ture super-conductivity. All topics are treated from a common viewpoint: that of many-body physics, whether theoretical or simu1ational. Since the very first workshop, held at the prestigious Ins...
Many-body Methods in Quantum Chemistry
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. The Symposium was a satellite meeting of the Sixth International Congress on Quantum Chemistry held in Jerusalem. The development and application of many-body methods in Quantum chemistry have been on the rise for a number of years. This is therefore a good time for an interim report on the state of the field. It is hoped that such a report is hereby provided, though it may not be complete. The Symposium was held under the auspices of Tel Aviv University, Raymond and Beverly Sackler Faculty of Exact Scienc...
