New Horizons of Quantum Chemistry: Proceedings of the Fourth International Congress of Quantum Chemistry Held at Uppsala, Sweden, June 14–19, 1982 (Quantum Chemistry, 4)

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. Front Matter....Pages i-ix Introduction of the First Symposium....Pages 1-4 Classical Implications of the Quantum Statistical Interpretation....Pages 5-5 Propagators, Scattering Theory and Chemical Reactions....Pages 7-14 Degenerate Perturbation Theory....Pages 15-29 Coupled Cluster Approaches to Many-Electron Correlation Problem....Pages 31-60 Chairman’s Introduction to Sessions M1 and M2 on June 15, 1982....Pages 61-63 Energy Transfer along Alpha-Helical Proteins....Pages 65-75 Collective and Independent-Particle Motion in Simple Atoms and Molecules: a Unification?....Pages 77-93 Are CLi 6 , NLi 5 , OLi 4 , Etc, Hypervalent?....Pages 95-109 Introductory Remarks on the Time-Dependent Phenomena and Related Topics....Pages 111-115 Nonadiabatic Effects in Slow Atomic Collisions — Many-Trajectory Semiclassical Approximation....Pages 117-134 Time Dependent Constants of the Motion....Pages 135-154 Electron Molecule Scattering at Low Energies: Relations Between Dynamics and Structure....Pages 155-178 Computational Quantum Chemistry — Introductory Remarks....Pages 179-182 AB Initio Calculations Close to the Full CI Level of Accuracy and their Use for the Interpretation of Molecular Spectra....Pages 183-219 Potential Energy Surfaces of Chemical Reactions....Pages 221-241 AB-Initio Methods in Calculations of Intermolecular Interaction Energies....Pages 243-277 The Unitary Group and the Electron Correlation Problem....Pages 279-293 From Heterogeneous Catalysis to Surface Chemistry and Chemisorption....Pages 295-304 Molecular Ingredients of Heterogeneous Catalysis....Pages 305-337 New Perspectives in Surface Crystallography....Pages 339-350 Introductory Remarks to Symposium 5b: Large Molecules and Solid State Theory....Pages 351-356 Insight in Many-Electron Theory from the Charge Density Wave Structure of Potassium....Pages 357-372 Molecular Semiconductors, Metals and Superconductors....Pages 373-393 Introduction....Pages 395-397 Membrane Proteins as Ion Channels....Pages 399-415 Evolution of Molecules....Pages 417-437 The MCM (Most Complicated Molecule) in Today’s Quantum, Chemistry : tRNA Phe . Molecular Potential Versus Molecular Field....Pages 439-451 Back Matter....Pages 453-457 Proceedings of the Fourth International Congress of Quantum Chemistry, held at Uppsala, Sweden, June 19-24, 1982