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

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

Paperback

Series: Progress in Theoretical Chemistry and Physics, Book 14

ChemistryPhysics

ISBN10: 9048165083
ISBN13: 9789048165087
Publisher: Springer Nature
Published: Jan 27 2011
Pages: 227
Weight: 0.78
Height: 0.52 Width: 6.14 Depth: 9.21
Language: English
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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