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The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State

  • N. I. Gidopoulos
  • S. Wilson

Part of the Progress in Theoretical Chemistry and Physics book series (PTCP, volume 14)

Table of contents

  1. Front Matter
    Pages i-xviii
  2. The Workshop

    1. Front Matter
      Pages 1-1
    2. N. I. Gidopoulos, S. Wilson
      Pages 9-14
    3. N. I. Gidopoulos, S. Wilson
      Pages 15-31
    4. N. I. Gidopoulos, S. Wilson
      Pages 33-39
  3. The Proceedings

  4. The Forum

    1. Front Matter
      Pages 207-207
    2. N. I. Gidopoulos, S. Wilson
      Pages 209-210
    3. N. I. Gidopoulos, S. Wilson
      Pages 211-218
  5. Back Matter
    Pages 219-227

About these proceedings

Introduction

This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon. over the period 31st May - 2nd June, 2002. The forum consisted of 26 oral and poster presentations followed by a discussion structure around questions and comments submitted by the participants (and others who had expressed an interest) in advance of the meeting. Quantum mechanics provides a theoretical foundation for our under­ standing of the structure and properties of atoms, molecules and the solid state in terms their component particles, electrons and nuclei. (Rel­ ativistic quantum mechanics is required for molecular systems contain­ ing heavy atoms.) However, the solution of the equations of quantum mechanics yields a function, a wave function, which depends on the co­ ordinates, both space and spin, of all of the particles in the system. This functions contains much more information than is required to yield the energy or other property.

Keywords

Potential Theoretical physics matrix theory molecule particles

Editors and affiliations

  • N. I. Gidopoulos
    • 1
  • S. Wilson
    • 2
  1. 1.ISIS FacilityRutherford Appleton LaboratoryChilton, OxfordshireEngland
  2. 2.Computational Science and Engineering Department, Atlas CentreRutherford Appleton LaboratoryChilton, OxfordshireEngland

Bibliographic information

  • DOI https://doi.org/10.1007/978-94-017-0409-0
  • Copyright Information Springer Science+Business Media B.V. 2003
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Print ISBN 978-90-481-6508-7
  • Online ISBN 978-94-017-0409-0
  • Series Print ISSN 1567-7354
  • Buy this book on publisher's site
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