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Density-Functional Theory of Atoms and Molecules
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Table of Contents

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

Reviews

"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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