Density-functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry) Book + PRICE WATCH * Amazon pricing is not included in price watch

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

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.Read More

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  • 0195042794
  • 9780195042795
  • Robert G. Parr, Yang Weitao, Yang Weitao
  • 29 June 1989
  • Oxford University Press Inc, USA
  • Hardcover (Book)
  • 352
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