This book is a rigorous, unified account of the fundamental principles of the densityfunctional 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 HohenbergKohnSham and the LevyLieb derivations of the basic theorems 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.
About Robert G. Parr
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Author  :  Robert G. Parr 
Publisher  :  Oxford University Press Inc 
Data Published  :  01 March 1994 
ISBN  :  0195092767 
EAN  :  9780195092769 
Format Book  :  PDF, Epub, DOCx, TXT 
Number of Pages  :  352 pages 
Age +  :  15 years 
Language  :  English 
Rating  : 
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