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

1. The Forum

   1. The Forum — Discussion

      • N. I. Gidopoulos, S. Wilson

      Pages 211-218

2. Back Matter

   Pages 219-227

   PDF

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.

• Potential
• Theoretical physics
• matrix theory
• molecule
• particles

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)

• ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxfordshire, England

  N. I. Gidopoulos

• Computational Science and Engineering Department, Atlas Centre, Rutherford Appleton Laboratory, Chilton, Oxfordshire, England

  S. Wilson

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