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

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