Density-functional theory of atoms and molecules /
This text 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 t...
| Main Authors: | , |
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| Format: | eBook |
| Language: | English |
| Published: |
New York :
Oxford University Press,
2020.
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| Series: | International series of monographs on chemistry ;
16. |
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
| Summary: | This text 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 volume is intended for physicists, chemists, and advanced students in chemistry. |
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| Item Description: | Previously issued in print: 1989. |
| Physical Description: | 1 online resource (342 pages) : illustrations |
| Audience: | Specialized. |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: | 9780197560709 0197560709 |