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Density-Functional Theory of Atoms and Molecules

by Robert G. Parr

  • ISBN: 9780195092769
  • ISBN10: 0195092767

Density-Functional Theory of Atoms and Molecules

by Robert G. Parr

  • List Price: $210.00
  • Binding: Paperback
  • Publisher: Oxford Univ Pr on Demand
  • Publish date: 05/01/1994
  • ISBN: 9780195092769
  • ISBN10: 0195092767
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Description: 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 arepresented, 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 inchemistry.
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