Density-Functional Theory of Atoms and Molecules (Paperback)

Robert G. Parr

ISBN 10: 0195092767 / ISBN 13: 9780195092769

Published by Oxford University Press Inc, New York, 1995

About this Item

Paperback. 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 arepresented, 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 quantumtheory. The book is intended for physicists, chemists, and advanced students in chemistry. This book provides 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. This text is accessible to graduate students and theorists interested in applying the method to their own research. This item is printed on demand. Shipping may be from our UK warehouse or from our Australian or US warehouses, depending on stock availability.

Seller Inventory # 9780195092769

Bibliographic Details

• Title: Density-Functional Theory of Atoms and Molecules (Paperback)
• Publisher: Oxford University Press Inc, New York
• Publication Date: 1995
• Language: English
• ISBN 10: 0195092767
• ISBN 13: 9780195092769
• Binding: Paperback
• Condition: new

About this title

Synopsis

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.

About the Author

Robert G. Parr and Yang Weitao are both at University of North Carolina at Chapel Hill.