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

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Kurzbeschreibung

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.

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Schlagworte

Titel: The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State
Autoren/Herausgeber: N.I. Gidopoulos, Stephen Wilson (Hrsg.)
Aus der Reihe: Progress in Theoretical Chemistry and Physics
Ausgabe: 2004

ISBN/EAN: 9781402017933

Seitenzahl: 227
Format: 23,5 x 15,5 cm
Produktform: Hardcover/Gebunden
Gewicht: 588 g
Sprache: Englisch

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