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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Density Functional Theory in Quantum Chemistry (Paperback, Softcover reprint of the original 1st ed. 2014)
Loot Price: R4,785
Discovery Miles 47 850
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Density Functional Theory in Quantum Chemistry (Paperback, Softcover reprint of the original 1st ed. 2014)
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Total price: R4,805
Discovery Miles: 48 050
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In this book, density functional theory (DFT) is introduced within
the overall context of quantum chemistry. DFT has become the most
frequently used theory in quantum chemistry calculations. However,
thus far, there has been no book on the fundamentals of DFT that
uses the terminology and methodology of quantum chemistry, which is
familiar to many chemists, including experimentalists. This book
first reviews the basic concepts and historical background of
quantum chemistry and then explains those of DFT, showing how the
latter fits into the bigger picture. Recent interesting topics of
DFT in chemistry are also targeted. In particular, the physical
meanings of state-of-the-art exchange-correlation functionals and
their corrections are described in detail. Owing to its
unconventionality, this book is certain to be of great interest not
only to chemists but also to solid state physicists.
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