✦ LIBER ✦

Density-functional theory of atoms and molecules

✍ Scribed by Robert G. Parr, Yang Weitao

Book ID: 127432276
Publisher: Oxford University Press; Clarendon Press
Year: 1994
Tongue: English
Weight: 6 MB
Series: International series of monographs on chemistry 16
Category: Library
City: New York :, Oxford [England]
ISBN-13: 9780195042795

No coin nor oath required. For personal study only.

✦ Synopsis

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. The book is intended for physicists, chemists, and advanced students in chemistry.

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