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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Density-Functional Theory of Atoms and Molecules

Density-Functional Theory of Atoms and Molecules

Parr, Robert G.
Yang Weitao

Paperback

Series: International Monographs on Chemistry, Book 16

Astronomy & SpaceChemistry

ISBN10: 0195092767
ISBN13: 9780195092769
Publisher: Oxford University Press
Published: May 26 1994
Pages: 352
Weight: 1.14
Height: 0.88 Width: 6.04 Depth: 9.02
Language: English
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.

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