[PDF.61jq] Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)

Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)

[PDF.jz40] Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)

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 | #1276487 in Books |  Robert G Parr |  1994-05-26 | Original language:English | PDF # 1 |  6.20 x.80 x9.20l,1.14 | File type: PDF | 352 pages

 | Density Functional Theory of Atoms and Molecules

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||4 of 5 people found the following review helpful.| DFT|By Marco Vinicio Vazquez|"Density functional theory" sounds like a tough topic in a science curriculum. It is indeed, but in the long run it is a valuable tool to explore the properties of matter a it undergoes chemical and physical tranformations, say water vapour interacting with infrared energy, a protein folding itself to attain a characteristic structure that catalizes

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 present...

You can specify the type of files you want, for your gadget.Density-Functional Theory of Atoms and Molecules (International Series of Monographs on Chemistry)   |  Robert G. Parr, Yang Weitao. I was recommended this book by a dear friend of mine.

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