Density-Functional Theory of Atoms and Molecules
- ISBN-10
- 0195357736
- ISBN-13
- 9780195357738
- Category
- Science
- Pages
- 352
- Language
- English
- Published
- 1994-05-26
- Publisher
- Oxford University Press
- Authors
- Robert G. Parr, Yang Weitao
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.
Get the book
Other editions
-
- 1989
- 333 pages
- Paperback
- Oxford University Press, USA
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