The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State (Progress in Theoretical Chemistry and Physics, 14)

ISBN 10: 1402017936 / ISBN 13: 9781402017933

Edité par Springer, 2003

A propos de cet article

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Détails bibliographiques

• Titre: The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State (Progress in Theoretical Chemistry and Physics, 14)
• Éditeur: Springer
• Date de parution: 2003
• Langue: anglais
• ISBN à 10 chiffres: 1402017936
• ISBN à 13 chiffres: 9781402017933
• Reliure: Couverture rigide
• État de l'article: good

A propos de ce titre

Synopsis

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.

Présentation de l'éditeur

This volume records the proceedings of a Forum attended by many leading researchers working in the field of Electron Density, Density Matrix and Density Functional Theory held at the Coseners' House, Abingdon-on-Thames, Oxfordshire, Uk in early summer 2002.
The meeting concluded with a Forum, ably chaired by B.T. Sutcliffe, in which the latest research and results were discussed. A record of this Forum is included in this volume.
This book will be of value to researchers and research students in theoretical chemistry and theoretical physics whose work involves the theoretical study of atoms, molecules and the solid state. It will be of interest to quantum chemists and solid state physicists, to materials scientists and applied mathematicians.