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| QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PART II, 32
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Per-Olov Lowden, Quantum Chemistry Group, Uppsala University, Sweden, and Quantum Theory Project, University of Florida, Gainesville, U.S.A.
Erkki Brandas, Uppsala University, Sweden
Y. Smeyers, La Materia, CSIC
P. Grout, University of Oxford
Michael Zerner, Quantum Theory Project, University of Florida, Gainesville, U.S.A.
R. McWeeny, Universita di pisa
John Sabin, Quantum Theory Project, University of Florida, USA
J. Maruani, Laboratoire De Chimie Physique, CNRS and UPMC
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
H.M. Quiney, H. Skaane, and I.P. Grant, Ab Initio Relativistic Quantum Chemistry: Four-Components Good, Two-Components
Bad! D.L. Cooper, T. Thorsteinsson, and J. Gerratt, Modern VB Representations of CASSCF Wave Functions and the Fully-Variational
Optimization of Modern VB Wave Functions Using the CASVB Strategy. A. Kalemos and A. Mavridis, On the Electronic Structure of
ScB+: Ground and Low-Lying Excited States. A. Szarecka, G. Day, P.J. Grout, and S. Wilson, On the Effects of Basis Set
Truncation and Electron Correlation in the Conformers of 2-Hydroxy-Acetamide. M. Hoffmann, A. Szarecka, and J. Rychlewski, Gas-Phase
Conformational Analysis of (R,R)-Tartaric Acid, Its Diamide, N,N,N',N'-Tetramethyldiamide and Model. C. Petrongolo, Recent Theoretical
Developments in Conical-Intersection Effects in Triatomic Spectra. Y.G. Smeyers, M.L. Senent, and M. Villa, Ab Initio
Determination of Band Structures of Vibrational Spectra of Non-Rigid Molecules: Applications to Methylamine and Dimethylamine. R.G.
Woolley, Gauge Invariance and Multipole Moments. I. Martin, C. Lavin, Y. Perez-Delgado, J. Karwowski, and G.H.F. Diercksen,
Vertical Electron Transitions in Rydberg Radicals. V. Veniard, R. Taieb, and A. Maquet, Time-Dependent Quantum Treatment of
Two-Colour Multiphoton Ionization Using a Strong Laser Pulse and High-Order Harmonic Radiation. M. Bylicki, Methods Involving
Complex Coordinates Applied to Atoms. C. Amovilli, V. Barone, R. Cammi, E. Cances, M. Cossi, B. Mennucci, C.S. Pomelli, and J. Tomasi,
Recent Advances in the Description of Solvent Effects with the Polarization Continuum Model. M. Raimondi, A. Famulari, E. Gianinetti,
M. Sorani, R. Specchio, and I. Vandoni, New Ab Initio VB Interaction Potential for Molecular Dynamics Simulation of Liquid
Water. G.K.A. Keith, P.J. Grout, and S. Wilson, Systematic Sequences of Even-Tempered Gaussian Primatives for Diatomic Molecules
in Solution: A Preliminary Study Using Continuum Solvation Models. J. Lingerberg, Beyond the Transition State Treatment. Subject
Index.
| Bibliographic details |
Hardbound, 338 pages, publication date: OCT-1998
ISBN-13: 978-0-12-034833-6
ISBN-10: 0-12-034833-0
Imprint: ACADEMIC PRESS
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