bokomslag Density-Functional Theory of Atoms and Molecules
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Density-Functional Theory of Atoms and Molecules

Robert G Parr

Pocket

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  • 352 sidor
  • 1995
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.
  • Författare: Robert G Parr
  • Format: Pocket/Paperback
  • ISBN: 9780195092769
  • Språk: Engelska
  • Antal sidor: 352
  • Utgivningsdatum: 1995-01-01
  • Förlag: OUP USA