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Density-Functional Theory of Atoms and Molecules

Density-Functional Theory of Atoms and Molecules

Robert G. Parr, Yang Weitao

Oxford University Press
Publication date : 1989-04-13

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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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About the book

Author

Robert G. Parr , Yang Weitao

Imprint

Oxford University Press

Collection

n.c

Publication date

1989-04-13

Pages

n.c

Print ISBN

9780199878727

Language

English

Ebook informations

EAN EPUB

9780199878727

Price

£157.18

Copy count 0

Print count 0

File size 18575 Ko

Informations accessibility

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About author(s)

Robert G. Parr

Yang Weitao

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