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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.
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.
- 1: Elementary Wave Mechanics
- 2: Density Matrices
- 3: Density-Functional Theory
- 4: The Chemical Potential
- 5: Chemical Potential Derivatives
- 6: Thomas-Fermi and Related Models
- 7: The Kohn-Sham Method: Basic Principles
- 8: The Kohn-Sham Method: Elaboration
- 9: Extensions
- 10: Aspects of Atoms and Molecules
- 11: Miscellany
| Erscheinungsjahr: | 1994 |
|---|---|
| Fachbereich: | Astronomie |
| Genre: | Physik |
| Rubrik: | Naturwissenschaften & Technik |
| Medium: | Taschenbuch |
| Inhalt: | Kartoniert / Broschiert |
| ISBN-13: | 9780195092769 |
| ISBN-10: | 0195092767 |
| Sprache: | Englisch |
| Ausstattung / Beilage: | Paperback |
| Einband: | Kartoniert / Broschiert |
| Autor: |
Parr, Robert G.
Yang Weitao |
| Orchester: | Weitao, Yang |
| Hersteller: | Oxford University Press |
| Maße: | 229 x 152 x 20 mm |
| Von/Mit: | Robert G. Parr (u. a.) |
| Erscheinungsdatum: | 26.05.1994 |
| Gewicht: | 0,559 kg |
- 1: Elementary Wave Mechanics
- 2: Density Matrices
- 3: Density-Functional Theory
- 4: The Chemical Potential
- 5: Chemical Potential Derivatives
- 6: Thomas-Fermi and Related Models
- 7: The Kohn-Sham Method: Basic Principles
- 8: The Kohn-Sham Method: Elaboration
- 9: Extensions
- 10: Aspects of Atoms and Molecules
- 11: Miscellany
| Erscheinungsjahr: | 1994 |
|---|---|
| Fachbereich: | Astronomie |
| Genre: | Physik |
| Rubrik: | Naturwissenschaften & Technik |
| Medium: | Taschenbuch |
| Inhalt: | Kartoniert / Broschiert |
| ISBN-13: | 9780195092769 |
| ISBN-10: | 0195092767 |
| Sprache: | Englisch |
| Ausstattung / Beilage: | Paperback |
| Einband: | Kartoniert / Broschiert |
| Autor: |
Parr, Robert G.
Yang Weitao |
| Orchester: | Weitao, Yang |
| Hersteller: | Oxford University Press |
| Maße: | 229 x 152 x 20 mm |
| Von/Mit: | Robert G. Parr (u. a.) |
| Erscheinungsdatum: | 26.05.1994 |
| Gewicht: | 0,559 kg |
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