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| QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS PART I, 31
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Per-Olov Lowden, Quantum Chemistry Group, Uppsala University, Sweden, and Quantum Theory Project, University of Florida, Gainesville, U.S.A.
John Sabin, Quantum Theory Project, University of Florida, USA
R. McWeeny, Universita di pisa
Michael Zerner, Quantum Theory Project, University of Florida, Gainesville, U.S.A.
P. Grout, University of Oxford
Erkki Brandas, Uppsala University, Sweden
J. Maruani, Laboratoire De Chimie Physique, CNRS and UPMC
Y. Smeyers, La Materia, CSIC
S. Wilson, Rutherford Appleton Laboratory
Description
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.
Audience
Researchers in quantum chemistry, mathematics, biology, and physics. Universities and industrial research and development groups working on biological molecules and new materials.
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. Ma?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 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.
| Bibliographic details |
Hardbound, 345 pages, publication date: OCT-1998
ISBN-13: 978-0-12-034831-2
ISBN-10: 0-12-034831-4
Imprint: ACADEMIC PRESS
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