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科学や工学の基礎から応用までを学べる書籍が豊富
理論から実践、最新の技術まで、知識を深める内容
Robert G. Parr
最新の研究成果から実用的な技術まで、幅広い情報を提供します
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Density-Functional Theory of Atoms and Molecules (INTERNATIONAL SERIES OF MONOGRAPHS ON 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.
密度汎関数理論の本です。
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