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Density-Functional Theory of Atoms and Molecules
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Density-Functional Theory of Atoms and Molecules Paperback - 1994

by Robert G. Parr; Yang Weitao; Yang Weitao (With)


From the publisher

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.

First line

The principles of density-functional theory are conveniently expounded by making reference to conventional wave-function theory.

Details

  • Title Density-Functional Theory of Atoms and Molecules
  • Author Robert G. Parr; Yang Weitao; Yang Weitao (With)
  • Binding Paperback
  • Edition Reprint
  • Pages 352
  • Volumes 1
  • Language ENG
  • Publisher Oxford University Press, USA, Oxford
  • Date 1994-05-26
  • ISBN 9780195092769 / 0195092767
  • Weight 1.14 lbs (0.52 kg)
  • Dimensions 9.02 x 6.04 x 0.88 in (22.91 x 15.34 x 2.24 cm)
  • Dewey Decimal Code 530.41
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Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)
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Density-Functional Theory of Atoms and Molecules

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by Robert G. Parr

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Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry, 16)

by Parr, Robert G.; Yang Weitao

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

by Robert G. Parr/ Yang Weitao

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Density-Functional Theory of Atoms and Molecules (International Series of Monographs on...
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Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry, 16)

by Parr, Robert G.; Yang Weitao

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