New Horizons of Quantum Chemistry: Proceedings of the Fourth International Congress of Quantum Chemistry Held at Uppsala, Sweden, June 14-19, 1982

ISBN-13: 9789027715265 / Angielski / Twarda / 1982 / 457 str.

P. -O Lvwdin; Bernard Pullman; P. -O Lc6wdin

Opis

The Fourth International Congress in Quantum Chemistry under the auspices of the International Academy of Molecular Quantum Science in Menton, France was arranged at Uppsala University, Uppsala, Sweden, during the period June 14 - 19, 1982, in close collaboration with the University of Florida. The previous congresses were held in Menton 1973, New Orleans 1976, and Kyoto 1979, and the 1985 congress is tentatively planned to be held in the province of Quebec, Canada. The Congress consisted of six symposia in various areas of quantum chemistry, solid-state theory, and quantum bi- ology. The meeting was attended by about 450 scientists from 45 different nations, and a total of more than 300 scientific papers were presented. Even the poster contri- butions were given some plenary time. These proceedings contain the text of the plenary lec- tures as well as the chairmen's introductions, whereas the contributed papers will be published in the International Journal of Quantum Chemistry, (John Wiley & Sons, New York) in the regular January - April 1983 issues.

Spis treści

Symposium I. Quantum Mechanical Methods.- to the First Symposium.- Classical Implications of the Quantum Statistical Interpretation.- Propagators, Scattering Theory and Chemical Reactions.- Degenerate Perturbation Theory.- Coupled Cluster Approaches to Many-Electron Correlation Problem.- Symposium II. Time Independent Phenomena.- Chairman’s Introduction to Second Symposium.- Energy Transfer along Alpha-Helical Proteins.- Collective and Independent-Particle Motion in Simple Atoms and Molecules: A Unification?.- Are CLi6, NLi5, OLi4, etc Hypervalent?.- Symposium III. Time Dependent Phenomena.- Introductory Remarks on the Time-Dependent Phenomena and Related Topics.- Nonadiabatic Effects in Slow Atomic Collisions — Many-Trajectory Semiclassical Approximation.- Time Dependent Constants of the Motion.- Electron Molecule Scattering at Low Energies: Relations Between Dynamics and Structure.- Symposium IV. Computational Quantum Chemistry.- Computational Quantum Chemistry: Introductory Remarks.- AB Initio Calculations Close to the Full CI Level of Accuracy and their Use for the Interpretation of Molecular Spectra.- Potential Energy Surfaces of Chemical Reactions.- AB-Initio Methods in Calculations of Intermolecular Interaction Energies.- The Unitary Group and the Electron Correlation Problem.- Symposium V. A. Surfaces and Catalysis.- From Heterogeneous Catalysis to Surface Chemistry and Chemisorption.- Molecular Ingredients of Heterogeneous Catalysis.- New Perspectives in Surface Crystallography.- Symposium V. B. Theory of Large Molecules and Solids.- Introductory Remarks to Symposium 5B: Large Molecules and Solid State Theory.- Insights in Many-Electron Theory from the Charge Density Wave Structure of Potassium.- Molecular Semiconductors, Metals and Superconductors.- Symposium VI. Quantum Biology and Quantum Pharmacology.- Membrane Proteins as Ion Channels.- Evolution of Molecules.- The MCM (Most Complicated Molecule) in Today’s Quantum Chemistry: tRNAPhe. Molecular Potential Versus Molecular Field..- Index of Subjects.