Robert G. Parr (William R. Kenan Jr Professor of Theoretical Chemis, Yang Weitao (Postdoctoral Fellow, Postdoctoral Fellow, both at Unive

Density-Functional Theory of Atoms and Molecules

• Broschiertes Buch

Produktbeschreibung

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 of the chemical potential and its derivatives. It is intended for physicists, chemists, and advanced students in chemistry.

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Produktdetails

• International Series of Monographs on Chemistry
• Verlag: Oxford University Press Inc
• Seitenzahl: 344
• Erscheinungstermin: 26. Mai 1994
• Englisch
• Abmessung: 229mm x 152mm x 20mm
• Gewicht: 518g
• ISBN-13: 9780195092769
• ISBN-10: 0195092767
• Artikelnr.: 20972185

Inhaltsangabe

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