Overview
- Editors:
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John F. Dobson
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School of Science, Griffith University, Nathan, Australia
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Giovanni Vignale
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University of Missouri-Columbia, Columbia, USA
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Mukunda P. Das
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Department of Theoretical Physics, IAS, The Australian National University, Canberra, Australia
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Table of contents (30 chapters)
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Introductory Material
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- John F. Dobson, Mukunda P. Das
Pages 3-18
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- John P. Perdew, Matthias Ernzerhof
Pages 31-41
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Invited Chapters on Groundstate Energy Functionals
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- Kieron Burke, John P. Perdew, Matthias Ernzerhof
Pages 57-68
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- Andreas Savin, François Colonna, Jean-Marie Teuler
Pages 69-80
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- Kieron Burke, John P. Perdew, Yue Wang
Pages 81-111
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- Mel Levy, Stanislav Ivanov, Andeas Görling
Pages 113-123
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- Robert C. Morrison, Robert G. Parr
Pages 125-131
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- Leslie C. Wilson, Stanislav Ivanov
Pages 133-147
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- E. Engel, S. Keller, R. M. Dreizler
Pages 149-163
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Invited Chapters on Excited States, Time-Dependent DFT and the Van der Waals Interaction
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Front Matter
Pages 165-165
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- C. J. Umrigar, A. Savin, Xavier Gonze
Pages 167-176
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- M. Petersilka, U. J. Gossmann, E. K. U. Gross
Pages 177-197
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About this book
This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a great mixer. Invited experts from North America, Europe, and Australia mingled with students from several disciplines, rapidly taking up the informal style for which Australia is famous. A list of participants is given at the end of the book. Density functional theory (DFT) is a subtle approach to the very difficult problem of predicting the behavior of many interacting particles. A major application is the study of many-electron systems. This was the workshop theme, embracing inter alia computational chemistry and condensed matter physics. DFT circumvents the more conceptually straightforward (but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on rather delicate considerations involving the electron number density. For many years the pioneering work of Kohn and Sham (the Local Density Ap proximation of 1965 and immediate extensions) represented the state of the art in DFT. This approach was widely used for its appealing simplicity and computability, but gave rather modest accuracy. In the last few years there has been a renaissance of interest, quite largely due to the remarkable success of the new generation of gradient functionals whose initiators include invitees to the workshop (Perdew, Parr, Yang).
Editors and Affiliations
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School of Science, Griffith University, Nathan, Australia
John F. Dobson
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University of Missouri-Columbia, Columbia, USA
Giovanni Vignale
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Department of Theoretical Physics, IAS, The Australian National University, Canberra, Australia
Mukunda P. Das
