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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Time-Dependent Density-Functional Theory - Concepts and Applications (Paperback)
Loot Price: R1,274
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Time-Dependent Density-Functional Theory - Concepts and Applications (Paperback)
Series: Oxford Graduate Texts
Expected to ship within 10 - 15 working days
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Time-dependent density-functional theory (TDDFT) describes the
quantum dynamics of interacting electronic many-body systems
formally exactly and in a practical and efficient manner. TDDFT has
become the leading method for calculating excitation energies and
optical properties of large molecules, with accuracies that rival
traditional wave-function based methods, but at a fraction of the
computational cost. This book is the first graduate-level text on
the concepts and applications of TDDFT, including many examples and
exercises, and extensive coverage of the literature. The book
begins with a self-contained review of ground-state DFT, followed
by a detailed and pedagogical treatment of the formal framework of
TDDFT. It is explained how excitation energies can be calculated
from linear-response TDDFT. Among the more advanced topics are
time-dependent current-density-functional theory, orbital
functionals, and many-body theory. Many applications are discussed,
including molecular excitations, ultrafast and strong-field
phenomena, excitons in solids, van der Waals interactions,
nanoscale transport, and molecular dynamics.
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