1: Elementary Wave Mechanics
2: Density Matrices
3: Density-Functional Theory
4: The Chemical Potential
5: Chemical Potential Derivatives
6: Thomas-Fermi and Related Models
7: The Kohn-Sham Method: Basic Principles
8: The Kohn-Sham Method: Elaboration
9: Extensions
10: Aspects of Atoms and Molecules
11: Miscellany
"The theory of atoms, molecules and solids is largely dependent on
good approximate solutions to appropriate quantum mechanical
many-electron systems. Thus the appearance in recent years, of a
new practical way to generate such solutions has met with
considerable interest. The method is the density-functional method
(DFT) in the local density approximation (LDA). . . . R.G. Parr and
W. Yang are experienced professionals in this area . . . Their book
is a
thorough and solid introduction to the DFT. . . . I found the book
well written, accurate and helpful. I recommend it." --Annual
Nuclear Energy
"Gives an excellent summary of the foundations and, much more
briefly, of some of the applications of this electron density
theory . . . . well written and important book." --The Times Higher
Education Supplement
"The author's goal of giving 'a coherent account of the
(density-functional) theory as it stands today' has been attained
in this excellent book." --Theoretica Chimica Acta
"This book is an excellent rigorous introduction to the ideas of
density functional theory, couched in the language of density
matrices that is familiar to theoretical chemists. It is
well-written and authoritative, fills a void in the literature, and
should be part of the library of practicing theoretical chemists
and physicists." --Journal of the American Chemical Society
"In the book, Parr summarizes, in a rigorous and fairly
mathematical way, the basic theorems related to the
density-functional method. Much emphasis is placed on a thorough
review of the work done by his own students.. . . Basic principles
are emphasized and explained in elegant mathematical detail.
Various approximations of the exchange and correlation potential
are carefully examined. The book provides the essential perspective
and background needed by an
investigator who wants to continue to progress in the field."
--American Scientist
"The theory of atoms, molecules and solids is largely dependent on
good approximate solutions to appropriate quantum mechanical
many-electron systems. Thus the appearance in recent years, of a
new practical way to generate such solutions has met with
considerable interest. The method is the density-functional method
(DFT) in the local density approximation (LDA). . . . R.G. Parr and
W. Yang are experienced professionals in this area . . . Their book
is a
thorough and solid introduction to the DFT. . . . I found the book
well written, accurate and helpful. I recommend it." --Annual
Nuclear Energy
"Gives an excellent summary of the foundations and, much more
briefly, of some of the applications of this electron density
theory . . . . well written and important book." --The Times Higher
Education Supplement
"The author's goal of giving 'a coherent account of the
(density-functional) theory as it stands today' has been attained
in this excellent book." --Theoretica Chimica Acta
"This book is an excellent rigorous introduction to the ideas of
density functional theory, couched in the language of density
matrices that is familiar to theoretical chemists. It is
well-written and authoritative, fills a void in the literature, and
should be part of the library of practicing theoretical chemists
and physicists." --Journal of the American Chemical Society
"In the book, Parr summarizes, in a rigorous and fairly
mathematical way, the basic theorems related to the
density-functional method. Much emphasis is placed on a thorough
review of the work done by his own students.. . . Basic principles
are emphasized and explained in elegant mathematical detail.
Various approximations of the exchange and correlation potential
are carefully examined. The book provides the essential perspective
and background needed by an
investigator who wants to continue to progress in the field."
--American Scientist
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