Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)
Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)
ISBN: 9780195092769
出版社: Oxford University Press, USA
出版年: 1994-05-26
页数: 342
定价: USD 147.95
装帧: Paperback
内容简介
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.