Density functional theory of atoms and molecules : Robert G. Parr and Weitao Yang. / by Robert G. Parr. and Yang Weitao
Material type:
TextLanguage: English Publication details: Oxford ; New York : Oxford University Press, 1989.Description: ix, 333 pISBN: - 9780195092769
- 530.41 PAR/D
| Item type | Current library | Home library | Call number | Status | Date due | Barcode | Item holds | |
|---|---|---|---|---|---|---|---|---|
Technical Reference Book
|
Central Library, IIT Bhubaneswar | Central Library, IIT Bhubaneswar | 530.41 PAR/D (Browse shelf(Opens below)) | Available | 6700 |
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| 530.41 OMA/E Elementary solid state physics : principles and applications / | 530.41 OMA/E Elementary solid state physics : principles and applications / | 530.41 OMA/E Elementary solid state physics : principles and applications / | 530.41 PAR/D Density functional theory of atoms and molecules : Robert G. Parr and Weitao Yang. / | 530.41 PIL/S Solid state physics / | 530.41 PIL/S Solid state physics / | 530.41 PIL/S Solid state physics / |
Includes Index.
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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