"Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. Well done!"
Paul von Ragué Schleyer
"A conspicuous hole in the computational chemist's library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject.[...It] should justifiably become the favorite text on the subject for practitioners who aim to use DFT to solve chemical problems."
J. F. Stanton, J. Am. Chem. Soc.
"The authors' aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy-to-understand theoretical level. They succeed admirably."
P. C. H. Mitchell, Appl. Organomet. Chem.
"The authors have done an excellent service to the chemical community. [...] A Chemist's Guide to Density Functional Theory is exactly what the title suggests. It should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems."
M. Kaupp, Angew. Chem.
發表於2024-12-23
A Chemist's Guide to Density Functional Theory, 2nd Edition 2024 pdf epub mobi 電子書 下載
圖書標籤: DFT 第一本書 量子化學 化學 1 QC
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評分not worthy enough
評分感覺作者就在講故事一樣 易讀 簡潔
評分感覺作者就在講故事一樣 易讀 簡潔
評分not worthy enough
A Chemist's Guide to Density Functional Theory, 2nd Edition 2024 pdf epub mobi 電子書 下載