Quantum Theory of Polymers

1. Front Matter

   Pages i-xi

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2. LCAO Methods for Band Structure Calculations of Polymers

   • Jean-Marie Andre, Joseph Delhalle

   Pages 1-22

3. The Evaluation of Electron Repulsion Integrals

   • A. Veillard

   Pages 23-30

4. X-Ray Photoelectron Spectroscopy and its Application to Polymer Electronic Structure Studies

   • Jacques J. Verbist

   Pages 31-48

5. Correlation Energy in Solids

   • N. H. March

   Pages 49-73

6. Quantum Mechanical Treatment of Excited Electronic States of Polymers

   • T. C. Collins

   Pages 75-101

7. Coupled Cluster many Electron Theory and the Cohesive Energy of Large Systems Consisting of Weakly Interacting Subsystems

   • J. Čížek

   Pages 103-116

8. Fourier Representation Methods in Electronic Structure Studies of Crystals and Polymers

   • Frank E. Harris

   Pages 117-135

9. Linked-Cluster Perturbation Theory for Closed and Open-Shell Systems: Derivation of Effective π-Electron Hamiltonians

   • B. H. Brandow

   Pages 137-167

10. Methods for the Treatment of Disordered Systems with Possible Applications to Aperiodic Polymers

    • F. Martino

    Pages 169-184

11. Electron States of Structurally-Disordered Chains

    • W. L. Mc Cubbin

    Pages 185-198

12. Theoretical Models of Chemisorption of Ions and Small Molecules on Polymers

    • G. Del Re

    Pages 199-227

13. Hydrogen Bonding between Molecules or Ions and in Molecular Crystals

    • P. Schuster

    Pages 229-255

14. Electronic Structure of Biopolymers

    • János J. Ladik

    Pages 257-278

15. Energy Band Structure of Highly Conducting Polymers

    • János J. Ladik

    Pages 279-288

16. Quantum Mechanical Treatment of Transport Properties of Semiconductors: Possible Application to Polymers

    • P. Csavinszky

    Pages 289-312

17. Quantum Theoretical Treatment of Electronic Effects on the Mechanical Properties of Semiconductors: Possible Application to Polymers

    • P. Csavinszky

    Pages 313-333

18. Theoretical Investigation of the Transport Properties of Polymers and Organic Molecular Crystals

    • S. Suhai

    Pages 335-366

19. Back Matter

    Pages 367-376

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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".

• biopolymer
• bonding
• chemical bond
• crystal
• hydrogen
• molecule
• perturbation theory
• polymer
• quantum theory
• spectroscopy
• structure
• transport

• Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires de Namur, Namur, Belgium

  Jean-Marie André, Joseph Delhalle

• Universität Erlangen-Nürnberg, Erlangen, Deutschland

  János Ladik

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