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Density-functional theory of atoms and molecules

Author: Robert G Parr; Weitao Yang
Publisher: New York : Oxford University Press ; Oxford [England] : Clarendon Press, 1989.
Series: International series of monographs on chemistry, 16.
Edition/Format:   Print book : EnglishView all editions and formats
Database:WorldCat
Summary:

Provides an account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. This book contains a discussion  Read more...

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Material Type: Internet resource
Document Type: Book, Internet Resource
All Authors / Contributors: Robert G Parr; Weitao Yang
ISBN: 0195042794 9780195042795 0195092767 9780195092769
OCLC Number: 18381983
Notes: Includes indexes.
Description: x, 333 pages : illustrations ; 24 cm.
Contents: 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.
Series Title: International series of monographs on chemistry, 16.
Responsibility: Robert G. Parr and Weitao Yang.
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The theory of atoms, molecules and solids is largely dependent on good approximate solutions to appropriate quantum mechanical many-electron systems. Thus the appearance in recent years, of a new Read more...

 
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