Density-Functional Theory of Atoms and Molecules
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 physicsQuantum & theoretical chemistry
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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