Density-Functional Theory of Atoms and Molecules
Density-Functional Theory of Atoms and Molecules (International Series of Monogr
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Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry, No. 16)
Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry, No. 16)
By Robert G. Parr, Yang Weitao
Publisher: Oxford University Press, USA
Number Of Pages: 342
Publication Date: 1989-04-13
ISBN-10 / ASIN: 0195042794
ISBN-13 / EAN: 9780195042795
psw: gigapedia.org
Binding: Hardcover
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.
Summary: The most over-rated classic
Rating: 2
I've never met anyone who was "into" DFT and did not like this book... except me. I think it is the most over-rated book on ab initio theory out there. I liked Szabo and Ostlund and Helgaker et al's books because they were detailed enough that you could not know Hartree-Fock or MP2, but after reading them, you could write a HF or MP2 program. I didn't know DFT before I read this book and I still couldn't write a DFT program after reading it. To me, the text seemed more philisophical than applicable, but considering the limited scope of this book, you would expect it to be more detailed than what it really is.
Summary: A classic in the field
Rating: 5
Density functional theory has been used in solid state physics for many decades. It has recently become popular in quantum chemistry. The authors have made seminal contributions to the field and their insight is distilled into this book. The focus of this book is on understanding the physics and chemistry underlying density functional theory - it does not concern itself with computatioonal details of the methodology or specific applications to different systems. Parr and Yang's book has now become a classic in the field, a must-buy for any student or researcher of density functional theory in chemistry.
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