Density-functional Theory of Atoms and Molecules
Robert G.; Yang Weitao Parr
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Description for Density-functional Theory of Atoms and Molecules
Paperback. Provides an account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. This book contains a discussion of the chemical potential and its derivatives. It is intended for physicists, chemists, and advanced students in chemistry. Series: International Series of Monographs on Chemistry. Num Pages: 352 pages, 17 illus. BIC Classification: PHM; PNRP. Category: (P) Professional & Vocational. Dimension: 229 x 153 x 22. Weight in Grams: 558.
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, ... Read more
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, ... Read more
Product Details
Format
Paperback
Publication date
1994
Publisher
Oxford University Press Inc United States
Number of pages
352
Condition
New
Series
International Series of Monographs on Chemistry
Number of Pages
352
Place of Publication
New York, United States
ISBN
9780195092769
SKU
V9780195092769
Shipping Time
Usually ships in 4 to 8 working days
Ref
99-1
Reviews for Density-functional Theory of Atoms and Molecules
The theory of atoms, molecules and solids is largely dependent on good approximate solutions to appropriate quantum mechanical many-electron systems. Thus the appearance in recent years, of a new practical way to generate such solutions has met with considerable interest. The method is the density-functional method (DFT) in the local density approximation (LDA). . . . R.G. Parr and W. ... Read more