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Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)

 
 
 
 
Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)
Author: Robert G. Parr - Yang Weitao
ISBN 13: 9780195092769
ISBN 10: 195092767
Edition: N/A
Publisher: Oxford University Press
Publication Date: 1994-05-26
Format: Paperback
Pages: 352
List Price: $170.00
 
 

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.