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© 2003

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

  • N. I. Gidopoulos
  • S. Wilson
Conference proceedings

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

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

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Reviews

From the reviews:

"The book under review is the proceedings of a 2002 conference on DFT and related theories aiming to give a state-of-the-art presentation of the subject. It is an interesting volume with contributions from some of the leading physicists and chemists working in a neighborhood of DFT. … This book will be valuable for those wanting to know about the recent trends and developments in DFT." (Jerome A. Goldstein, Zentralblatt MATH, Vol. 1074 (25), 2005)