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.
| Format |
Häftad |
| Omfång |
352 sidor |
| Språk |
Engelska |
| Förlag |
Oxford University Press Inc |
| Utgivningsdatum |
1995-01-05 |
| ISBN |
9780195092769 |
