The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State
Published on 27. January 2011
Book
Paperback/Softback
XVIII, 227 pages
978-90-481-6508-7 (ISBN)
Description
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.
Reviews / Votes
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)
More details
Series
Edition
Softcover reprint of hardcover 1st ed. 2004
Language
English
Place of publication
Dordrecht
Netherlands
Target group
Professional and scholarly
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.
Illustrations
41 s/w Abbildungen
XVIII, 227 p. 41 illus.
Dimensions
Height: 244 mm
Width: 170 mm
Thickness: 14 mm
Weight
435 gr
ISBN-13
978-90-481-6508-7 (9789048165087)
DOI
10.1007/978-94-017-0409-0
Schweitzer Classification
Other editions
Additional editions
N.I. Gidopoulos | Stephen Wilson
The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State
E-Book
03/2013
Springer
€213.99
Available for download
N.I. Gidopoulos | Stephen Wilson
The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State
Book
11/2003
Kluwer Academic Publishers
€212.50
Shipment within 15-20 days
Content
I The Workshop.- The Fundamental of Electron Density, Density Matrix and Density Functional Theory for Atoms, Molecules and the Solid State.- The Programme.- Abstracts of Talks and Posters.- List of Participants.- II The Proceedings.- The Keldysh formalism applied to time-dependent current-density-functional theory.- Towards time-dependent density-functional theory for molecules in strong laser pulses.- Pair density functional theory.- The Kummer Variety for N-particles.- Some Unsolved Problems in Density Matrix Theory and Density Functional Theory.- 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 potential.- Functional N-representability in density matrix and density functional theory.- Density-functional theory for the Hubbard model.- Demonstrating the effectiveness of a nonlocal density functional description of exchange and correlation.- Incorporating the Virial Field into the Hartree-Fock Equations.- Hohenberg-Kohn Theorem and Constrained Search Formulation for Diagonal Spin Density Functional Theory.- III The Forum.- The Forum - Questions.- The Forum - Discussion.- A Glossary.- A Selected Bibliography.