Quantum Systems in Chemistry and Physics, Part I
- 1st Edition, Volume 31 - October 7, 1998
- Latest edition
- Editors: R. McWeeny, Per-Olov Lowdin, John R. Sabin, Michael C. Zerner, Paul Grout MBE, Julia Maruani, Erkki J. Brändas, Y. G. Smeyers, S. Wilson
- Language: English
- Hardback ISBN:9 7 8 - 0 - 1 2 - 0 3 4 8 3 1 - 2
- eBook ISBN:9 7 8 - 0 - 0 8 - 0 5 8 2 5 6 - 6
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… Read more
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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 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.
- Covers the following topics:
- Density matrices and density functional theory
- Electron correlation
- Relativistic effects
- Valence theory
- Nuclear motion
- Response theory
- Condensed matter
- Chemical reactions
AUDIENCE: Researchers in quantum chemistry, mathematics, biology, and physics. Universities and industrial research and development groups working on biological molecules and new materials.
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.
- Edition: 1
- Latest edition
- Volume: 31
- Published: October 7, 1998
- Language: English
RM
R. McWeeny
Affiliations and expertise
Universita di pisaPL
Per-Olov Lowdin
Affiliations and expertise
Quantum Chemistry Group, Uppsala University, Sweden, and Quantum Theory Project, University of Florida, Gainesville, U.S.A.JS
John R. Sabin
John R. Sabin is Professor of Physics and Chemistry Emeritus at the University of Florida, and Adjungeret Professor at the University of Southern Denmark. He received the AB degree from Williams College in 1962 and the PhD from the University of New Hampshire in 1966. Thereafter he was a postdoctoral student at Uppsala University and at Northwestern University. He was Assistant Professor at the University of Missouri for three years (1968-1971) and then came to the University of Florida where he has been since.
Sabin’s research interest is in the theoretical description of the interaction of fast charged baryon projectiles with atomic and molecular targets, both as neutrals and ions. In this work, he uses molecular quantum mechanics to describe such interactions. In particular, he is interested in the mechanism of absorption of the projectile’s mechanical energy by the target, where it is mostly converted to electronic energy, which is measured by the target’s mean excitation energy. He has written some 250 articles in this and related fields.
Sabin is editor of Advances in Quantum Chemistry and has been editor of the International Journal of Quantum Chemistry. He has edited some 90 volumes and proceedings.
Affiliations and expertise
Professor of Physics and Chemistry Emeritus, University of Florida, and Adjungeret Professor, University of Southern DenmarkMZ
Michael C. Zerner
Affiliations and expertise
Quantum Theory Project, University of Florida, Gainesville, U.S.A.PG
Paul Grout MBE
Affiliations and expertise
Head of Medical Training, College of Search and Rescue Medicine, Furness General Hospital, Barrow in Furness, UKJM
Julia Maruani
Affiliations and expertise
Laboratoire De Chimie Physique, CNRS and UPMCEB
Erkki J. Brändas
Erkki Brändas was born in Tampere, Finland in July1940 and was, as a Finnish war child, transported to Sweden in February 1942, finally adopted by his Swedish parents and given Swedish citizenship in 1947. He received his FL (PhD) in 1969 and Doctor of Philosophy (habilitation) in 1972, both at Uppsala University. Except for guest professorships in USA, Germany, Israel, he spent his professional career in Uppsala employed as Assistant- Associate- and Full Professor from 1975 until retirement in 2007. In addition to serving as chairman of the department of Quantum Chemistry, he was appointed Executive Director of the Uppsala Graduate School Advanced Instrumentation and Measurement supervising the doctoral education of 35 PhD’s from 1997-2007. He has served on various international scientific and editorial boards, e.g. Wiley, Elsevier and Springer including the service as Editor-in-Chief for the International Journal of Quantum Chemistry, Series Editor of the Advances in Quantum Chemistry. He is the current President of the International Society for Theoretical Chemical Physics, since 15 years, chairing a variety of international congresses and other numerous meetings, schools and workshops. He has published over 260 articles and edited more than 50 books on fundamental theoretical chemical physics from research on atoms, molecules and solid-state physics to complex enough systems in biology – from the microscopic realm to the cosmological rank.
Affiliations and expertise
Department of Quantum Chemistry, Angstrom Laboratory, Uppsala University, Uppsala, SwedenYS
Y. G. Smeyers
Affiliations and expertise
La Materia, CSICSW
S. Wilson
Affiliations and expertise
Rutherford Appleton LaboratoryRead Quantum Systems in Chemistry and Physics, Part I on ScienceDirect