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Density-functional theory of atoms and molecules

Auteur : Robert G Parr; Weitao Yang
Éditeur: New York : Oxford University Press ; Oxford [England] : Clarendon Press, 1989.
Collection: International series of monographs on chemistry, 16.
Édition/format:   Livre électronique : Document : AnglaisVoir toutes les éditions et tous les formats
Résumé:

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  Lire la suite...

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Détails

Genre/forme: Electronic book
Electronic books
Format – détails additionnels: Print version:
Parr, Robert G., 1921-
Density-functional theory of atoms and molecules.
New York : Oxford University Press ; Oxford [England] : Clarendon Press, 1989
(DLC) 88025157
Type d’ouvrage: Document, Ressource Internet
Type de document: Ressource Internet, Fichier d'ordinateur
Tous les auteurs / collaborateurs: Robert G Parr; Weitao Yang
ISBN: 0195092767 9780195092769 0195042794 9780195042795 1429406062 9781429406062
Numéro OCLC: 226376738
Description: 1 online resource (ix, 333 pages) : illustrations.
Contenu: 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
Titre de collection: International series of monographs on chemistry, 16.
Responsabilité: Robert G. Parr and Weitao Yang.
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Synopsis de l’éditeur

In the book, Parr summarizes, in a rigorous and fairly mathematical way, the basic theorems related to the density-functional method. Much emphasis is placed on a thorough review of the work done by Lire la suite...

 
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