Density-Functional Theory of Atoms and Molecules

Language: English

Published by Oxford University Press Inc, US, 1995

0195092767 / 9780195092769

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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.

Seller Inventory # LU-9780195092769

Title
Density-Functional Theory of Atoms and Molecules
Author
Robert G. Parr, Yang Weitao
Publisher
Oxford University Press Inc, US
Publication year
1995
Condition
New
Binding
Paperback
Language
English
ISBN 10
0195092767
ISBN 13
9780195092769
Item weight
540 grams

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