Density-functional Theory of Atoms and Molecules
- ISBN-10
- 0195042794
- ISBN-13
- 9780195042795
- Category
- Medical
- Pages
- 333
- Language
- English
- Published
- 1989
- Publisher
- Oxford University Press, USA
- Author
- Robert G. Parr
Description
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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