Density Functional Theory Of Atoms And Molecules
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Density-Functional Theory of Atoms and Molecules
Author | : Robert G. Parr |
Publisher | : Oxford University Press |
Total Pages | : 344 |
Release | : 1994-05-26 |
Genre | : Science |
ISBN | : 0195357736 |
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This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.
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