Books > Science & Mathematics > Chemistry > Analytical chemistry > Qualitative analytical chemistry > Chemical spectroscopy, spectrochemistry
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Density Functional Theory of Molecules, Clusters, and Solids (Paperback, Softcover reprint of the original 1st ed. 1996)
Loot Price: R4,243
Discovery Miles 42 430
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Density Functional Theory of Molecules, Clusters, and Solids (Paperback, Softcover reprint of the original 1st ed. 1996)
Series: Understanding Chemical Reactivity, 12
Expected to ship within 10 - 15 working days
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Rapid advances are taking place in the application of density
functional theory (DFT) to describe complex electronic structures,
to accurately treat large systems and to predict physical and
chemical properties. Both theoretical content and computational
methodology are developing at a pace which offers researchers new
opportunities in areas such as quantum chemistry, cluster science,
and solid state physics. This volume contains ten contributions by
leading scientists in the field and provides an authoritative
overview of the most important developments. The book focuses on
the following themes: determining adequate approximations for the
many-body problem of electronic correlations; how to transform
these approximations into computational algorithms; applications to
discover and predict properties of electronic systems; and
developing the theory. For researchers in surface chemistry,
catalysis, ceramics and inorganic chemistry.
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