Density-Functional Theory of Atoms and Molecules

by both at University of North Carolina at Chapel HillPostdoctoral Fellow Postdoctoral Fellow , Robert G. Parr

Book Details

Format Paperback / Softback

Book Series International Series of Monographs on Chemistry

ISBN-10 0195092767

ISBN-13 9780195092769

Publisher Oxford University Press Inc

Imprint Oxford University Press Inc

Country of Manufacture GB

Country of Publication GB

Publication Date Jan 5th, 1995

Print length 352 Pages

Weight 518 grams

Dimensions 22.90 x 15.30 x 2.20 cms

Product Classification: Atomic & molecular physics Quantum & theoretical chemistry

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Ksh 42,500.00

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Provides an account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. This book contains a discussion of the chemical potential and its derivatives. It is intended for physicists, chemists, and advanced students in chemistry.

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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