Density-Functional Theory of Atoms and Molecules / Robert G Parr

Public ISBD Titre : Density-Functional Theory of Atoms and Molecules Type de document : texte imprimé Auteurs : Robert G Parr, Auteur Editeur : Oxford : Oxford university press Année de publication : 1989 Importance : 1 vol (333 p.) Format : 24 cm Langues : Anglais (eng) Catégories : Chimie Mots-clés : Chimie Index. décimale : 540 Chimie et sciences connexes Résumé : 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. Côte titre : Fs/24424 Density-Functional Theory of Atoms and Molecules [texte imprimé] / Robert G Parr, Auteur . - Oxford : Oxford university press, 1989 . - 1 vol (333 p.) ; 24 cm. Langues : Anglais (eng) Catégories : Chimie Mots-clés : Chimie Index. décimale : 540 Chimie et sciences connexes Résumé : 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. Côte titre : Fs/24424

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Density-Functional Theory of Atoms and Molecules / Robert G Parr

Public ISBD Titre : Density-Functional Theory of Atoms and Molecules Type de document : texte imprimé Auteurs : Robert G Parr, Auteur Editeur : Alger : OPU Année de publication : 1989 Importance : 1 vol (333 p.) Format : 24 cm Langues : Anglais (eng) Catégories : Chimie Mots-clés : Chimie Index. décimale : 540 Chimie et sciences connexes Résumé : 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. Côte titre : Fs/24424 Density-Functional Theory of Atoms and Molecules [texte imprimé] / Robert G Parr, Auteur . - Alger : OPU, 1989 . - 1 vol (333 p.) ; 24 cm. Langues : Anglais (eng) Catégories : Chimie Mots-clés : Chimie Index. décimale : 540 Chimie et sciences connexes Résumé : 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. Côte titre : Fs/24424

Exemplaires

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