Quantum Systems In Chemistry And Physics, Part I

Hardcover

byPer-olov SabinEditorMichael C. Zerner, Erkki J. Brandas

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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 69, 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. Key Features* Covers the following topics:* Density matrices and density functional theory* Electron correlation* Relativistic effects* Valence theory* Nuclear motion* Response theory* Condensed matter* Chemical reactions

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From the Publisher

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 69, 1997. The purpose of this i...

From the Jacket

This volume contains a referred selection of the papers presented at the Second European Workshop on "Quantum Systems in Chemistry and Physics" held at Jesus College, Oxford, In April 1997.

John R. Sabin was born in Springfield, Mass, and educated at Williams College (BA) and the University of New Hampshire (PhD). Following that, he was a postdoctoral at Uppsala University in Sweden, and at Northwestern University in Evanston, Ill. For the past four decades, he has worked in the Quantum Theory Project, Department of Physi...

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Format:HardcoverDimensions:345 pages, 9 × 6 × 0.98 inPublisher:Academic Press

The following ISBNs are associated with this title:

ISBN - 10:0120348314

ISBN - 13:9780120348312

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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. Máa ik 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 andAb InitioModel 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.

Editorial 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