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Density-Functional Theory of Atoms and Molecules
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Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry, No. 16) By Robert G. Parr, Yang Weitao Publisher: Oxford University Press, USA Number Of Pages: 342 Publication Date: 1989-04-13 ISBN-10 / ASIN: 0195042794 ISBN-13 / EAN: 9780195042795 Binding: Hardcover 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. http://www.fs2you.com/files/376561c7-9fa7-11dc-98a3-0014221f3995/ |
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2楼2007-12-01 21:52:08