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A Chemist's Guide to Density Functional Theory 2e (Paperback, 2nd Edition)
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A Chemist's Guide to Density Functional Theory 2e (Paperback, 2nd Edition)
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"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 Rague 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.
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