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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)."
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)."
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