Density-functional theory of atoms and molecules
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
eBook, English, 1989
Oxford University Press ; Clarendon Press, New York, Oxford [England], 1989
1 online resource (ix, 333 pages) : illustrations.
9780195092769, 9780195042795, 9781429406062, 9780199878727, 9786610527700, 9780195357738, 9780197560709, 0195092767, 0195042794, 1429406062, 0199878722, 6610527709, 0195357736, 0197560709
226376738
1. Elementary Wave Mechanics
2. Density Matrices
3. Density-Functional Theory
4. The Chemical Potential
5. Chemical Potential Derivatives
6. Thomas-Fermi and Related Models
7. The Kohn-Sham Method: Basic Principles
8. The Kohn-Sham Method: Elaboration
9. Extensions
10. Aspects of Atoms and Molecules
11. Miscellany
vh7qx3xe2p.search.serialssolutions.com VIEW FULL TEXT
archive.org Free eBook from the Internet Archive
openlibrary.org Additional information and access via Open Library