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Density-functional theory of atoms and molecules /
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 t...
| Clasificación: | Libro Electrónico |
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| Autor principal: | |
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
New York : Oxford [England] :
Oxford University Press ; Clarendon Press,
1989.
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| Colección: | International series of monographs on chemistry ;
16. |
| Temas: | |
| Acceso en línea: | Texto completo |
| Sumario: | 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. |
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| Descripción Física: | 1 online resource (ix, 333 pages) : illustrations. |
| Bibliografía: | Includes bibliographical references (pages 285-317 and indexes). |
| ISBN: | 0195092767 9780195092769 0195042794 9780195042795 1429406062 9781429406062 0199878722 9780199878727 9786610527700 6610527709 0195357736 9780195357738 0197560709 9780197560709 |