Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry) Robert G. Parr

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352 pages


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Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)  by  Robert G. Parr

Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry) by Robert G. Parr
| Kindle Edition | PDF, EPUB, FB2, DjVu, AUDIO, mp3, RTF | 352 pages | ISBN: | 5.73 Mb

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 andMoreThis 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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