Density-Functional Theory of Atoms and Molecules

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Medicine
Density-Functional Theory of Atoms and...

Density-Functional Theory of Atoms and Molecules

Name: Density-Functional Theory of Atoms and Molecules
ISBN: 9780198021261

Parr, Robert G., Weitao, Robert G. Yang

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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 anunderstanding 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 severalappendices 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.

درجه (قاطیغوری(:

Medicine

کال:

1995

خپرندویه اداره:

Oxford University Press

ژبه:

english

صفحه:

344

ISBN 10:

0198021267