Quantum Theory of Polymers : Proceedings of the NATO Advanced Study Institute on Electronic Structure and Properties of Polymers Held at Namur, Belgium, 31 August–14 September, 1977

The NATO Advanced Study Institute on "Electronic Structure and Properties of Polymers" was held at the Facultes Universitaires de Namur (F.U.N.) from August 31 till September 14, 1977. We wish to express our deepest gratitude to the Scientific Affairs Division of NATO, the main sponsor of this Institute, and to the Facultes Universitaires Notre Dame de la Paix and their Board who gave us generous financial help as well as accommodation for the School. Our sincere thanks to Dr Tilo Kester from the NATO Scien­ tific Affairs Division and Prof. Roger Troisfontaines, Rector and President ~f the Facultes Notre Dame de la Paix. This volume contains the main lectures of the Institute. It is our great pleasure to thank all the lecturers for their most excellent and interesting lectures and for the clarity of their manuscripts. During the School the participants and lecturers felt that though there has been considerable progress in recent years in the methods applicable to the quantum theoretical treatment of polymers, not very many calculations of their properties have been performed. This is the reason that the title of this volume has been changed to "Quantum Theory of Polymers". Front Matter....Pages i-xi LCAO Methods for Band Structure Calculations of Polymers....Pages 1-22 The Evaluation of Electron Repulsion Integrals....Pages 23-30 X-Ray Photoelectron Spectroscopy and its Application to Polymer Electronic Structure Studies....Pages 31-48 Correlation Energy in Solids....Pages 49-73 Quantum Mechanical Treatment of Excited Electronic States of Polymers....Pages 75-101 Coupled Cluster many Electron Theory and the Cohesive Energy of Large Systems Consisting of Weakly Interacting Subsystems....Pages 103-116 Fourier Representation Methods in Electronic Structure Studies of Crystals and Polymers....Pages 117-135 Linked-Cluster Perturbation Theory for Closed and Open-Shell Systems: Derivation of Effective π-Electron Hamiltonians....Pages 137-167 Methods for the Treatment of Disordered Systems with Possible Applications to Aperiodic Polymers....Pages 169-184 Electron States of Structurally-Disordered Chains....Pages 185-198 Theoretical Models of Chemisorption of Ions and Small Molecules on Polymers....Pages 199-227 Hydrogen Bonding between Molecules or Ions and in Molecular Crystals....Pages 229-255 Electronic Structure of Biopolymers....Pages 257-278 Energy Band Structure of Highly Conducting Polymers....Pages 279-288 Quantum Mechanical Treatment of Transport Properties of Semiconductors: Possible Application to Polymers....Pages 289-312 Quantum Theoretical Treatment of Electronic Effects on the Mechanical Properties of Semiconductors: Possible Application to Polymers....Pages 313-333 Theoretical Investigation of the Transport Properties of Polymers and Organic Molecular Crystals....Pages 335-366 Back Matter....Pages 367-376 Proceedings of the NATO Advanced Study Institute on Electronic Structure and Properties of Polymers, Namur, Belgium, August 31-September 14, 1977 Edited By Jean-marie André, Joseph Delhalle, János Ladik.