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The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State : Progress in Theoretical Chemistry and Physics - N.I. Gidopoulos

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

Progress in Theoretical Chemistry and Physics

By: N.I. Gidopoulos (Editor), Stephen Wilson (Editor)

Hardcover

Published: 30th November 2003
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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.

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)

Preface
Contributing Authors
The Fundamental of Electron Density, Density Matrix and Density Functional Theory for Atoms, Molecules and the Solid Statep. 3
The Keldysh formalism applied to time-dependent current-density-functional theoryp. 43
Towards time-dependent density-functional theory for molecules in strong laser pulsesp. 69
Pair density functional theoryp. 79
The Kummer Variety for N-particlesp. 89
Some Unsolved Problems in Density Matrix Theory and Density Functional Theoryp. 97
The new formulation of the density functional theory, the limitation of accuracy of the Kohn-Sham potential and its expression in terms of the external potentialp. 115
Functional N-representability in density matrix and density functional theoryp. 129
Density-functional theory for the Hubbard modelp. 145
Demonstrating the effectiveness of a nonlocal density functional description of exchange and correlationp. 169
Incorporating the Virial Field into the Hartree-Fock Equationsp. 185
Hohenberg-Kohn Theorem and Constrained Search Formulation for Diagonal Spin Density Functional Theoryp. 195
The Forum - Questionsp. 209
The Forum - Discussionp. 211
A Glossaryp. 219
A Selected Bibliographyp. 221
Indexp. 223
Table of Contents provided by Blackwell. All Rights Reserved.

ISBN: 9781402017933
ISBN-10: 1402017936
Series: Progress in Theoretical Chemistry and Physics
Audience: Professional
Format: Hardcover
Language: English
Number Of Pages: 227
Published: 30th November 2003
Publisher: Springer-Verlag New York Inc.
Country of Publication: US
Dimensions (cm): 23.5 x 15.5  x 1.52
Weight (kg): 0.59