Overview

The description of quantum systems is fundamental to an understanding of many problems in chemistry and physics. This volume records a representative slection of the papers delivered at the second European Workshop on Quantum Systems in Chemistry and Physics which was held at Jesus College, Oxford, April 6–9, 1997. The purpose of this international Workshop was to bring together chemists and physicists with a common interest--the quantum mechanical many-body problem--and to encourage collaboration and exchange of ideas on the fundamentals by promoting innovative theory and conceptual development rather than improvements in computatorial techniques and routine applications.

Full Product Details

Author:   Per-Olov Lowdin (Quantum Chemistry Group, Uppsala University, Sweden, and Quantum Theory Project, University of Florida, Gainesville, U.S.A.) ,  Michael C. Zerner (Professor of Physics and Chemistry Emeritus, University of Florida, and Adjungeret Professor, University of Southern Denmark) ,  Erkki J. Brandas (Quantum Theory Project, University of Florida, Gainesville, U.S.A.) ,  Erkki J. Brändas (Department of Quantum Chemistry, Angstrom Laboratory, Uppsala University, Uppsala, Sweden)
Publisher:   Elsevier Science Publishing Co Inc
Imprint:   Academic Press Inc
Volume:   v. 31
Dimensions:   Width: 15.20cm , Height: 2.30cm , Length: 22.90cm
Weight:   0.620kg
ISBN:  

9780120348312

ISBN 10:   0120348314
Pages:   345
Publication Date:   05 November 1998
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Out of Print
Availability:   In Print  
Limited stock is available. It will be ordered for you and shipped pending supplier's limited stock.

Table of Contents

B.T. Sutcliffe, Quantum Systems in Chemistry and Physics: Some Hopes and Fears. R. McWeeny, Separability of Quantum Systems: A Density Matrix Approach. C. Valdemoro, M.P. de Lara-Castells, C. Perez-Romero, and L.M. Tel, The First Order Contracted Density Equations: Correlation Effects. Y.I. Delchev, A.I. Kuleff, R.L. Pavlov, and J. Maruani, A Consistent Calculation of Atomic Energy Shell Corrections: Strutinsky's Method in the Hartree-Fock-Roothaan Scheme. J. Mášik and I. Hubac, Multireference Brillouin-Wigner Coupled-Cluster Theory: Single-Root Approach. T. van Mourik, A.K. Wilson, K.A. Peterson, D.E. Woon, and T.H. Dunning, Jr., The Effect of Basis Set Superposition Error (BSSE) on the Convergence of Molecular Properties Calculated with the Correlation Consistent Basis Sets. I.G. Kaplan, Role of Electron Correlation in Non-Additive Forces and Ab Initio Model Potentials for Small Metal Cluster. D. Moncrieff and S. Wilson, Distributed Gaussian Basis Sets in Correlation Energy Studies: The Second Order Correlation Energy for the Ground State of the Hydrogen Molecule. J. Rychlewski, Explicitly Correlated Functions in Molecular Quantum Chemistry. J. Avery, Many-Electron Sturmians as an Alternative to the SCF-CI Method. C. Kozmutza and E. Tfirst, A Study of the Basis Set Superposition Effect in Weakly Interacting Systems: A Use of Localized Representation. E. Gianinetti, I. Vandoni, A. Famulari, and M. Raimondi, Extension of the SCF-MI Method to the Case of K Fragments One of Which is and Open Shell. T. Thorsteinsson and S. Rettrup, Parallelization of the CI Program PEDICI. A.S. Shalabi and S. Wilson, On the Convergence of the Many-Body Perturbation Theory Second-Order Energy Component for Negative Ions Using Systematically Constructed Basis Sets of Primitive Gaussian-Type Functions. U. Kaldor and E. Eliav, High-Accuracy Calculations for Heavy and Super-Heavy Elements. Subject Index.

Reviews

PRAISE FOR THE SERIES Quantum chemistry has emerged as a subject in its own right. The appearance of a review publication which surveys recent achievements in the field is therefore very appropriate and, when it has the quality of this volume, is most welcome. --PROCEEDINGS OF THE PHYSICAL SOCIETY The juxtaposition of the oldest of quantum chemical studies, atomic structure, and one of the newest, quantum biology, highlights the importance of quantum theory in modern chemistry. Thus, having first opened the book in search of a particular article, the reader is stimulated to delve into fields of which he has but a superficial knowledge. In this way the book can be instrumental in broadening the interests and background of those who turn to it. --THE ROYAL INSTITUTE OF CHEMISTRY

Praise for the Series Quantum chemistry has emerged as a subject in its own right. The appearance of a review publication which surveys recent achievements in the field is therefore very appropriate and, when it has the quality of this volume, is most welcome. --PROCEEDINGS OF THE PHYSICAL SOCIETY The juxtaposition of the oldest of quantum chemical studies, atomic structure, and one of the newest, quantum biology, highlights the importance of quantum theory in modern chemistry. Thus, having first opened the book in search of a particular article,the reader is stimulated to delve into fields of which he has but a superficial knowledge. In this way the book can be instrumental in broadening the interests and background of those who turn to it. --THE ROYAL INSTITUTE OF CHEMISTRY

Author Information

I was born in Springfield, Mass, and Educated at Williams College (BA) and the University of New Hampshire (PhD). Following that, I was a postdoctoral at Uppsala University in Sweden, and at Northwestern University in Evanston. For the past four decades, I have worked in the Quantum Theory Project, Department of Physics, at the University of Florida. My interests have always been in the theory of molecular electronic structure. More recently, I have been working on the interaction of fast particles, mostly protons and alpha particles, with proto-biological molecules, in terms of the transfer of energy from the projectile to the molecular target, and the outcome of that energy transfer. Such energy transfer is primarily electronic, and the initial electronic excitation results in target electronic and vibrational excitation, ionization, fragmentation, charge exchange, and other processes. The study of these processes, known as stopping power, has applications in fields from microelectronics to tumor therapy. The investigations are interesting and continue.

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