Robert G. Parr, Weitao Yang

Density-Functional Theory of Atoms and Molecules (eBook, ePUB)

• Format: ePub

Produktbeschreibung

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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Produktdetails

• Verlag: Oxford University Press
• Erscheinungstermin: 13. April 1989
• Englisch
• ISBN-13: 9780199878727
• Artikelnr.: 42675812