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- DescriptionTime-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 phemena, excitons in solids, van der Waals interactions, nascale transport, and molecular dynamics.
- Author BiographyCarsten Ullrich is Associate Professor of Physics at the University of Missouri-Columbia.
- Author(s)Carsten A. Ullrich
- PublisherOxford University Press
- Date of Publication22/12/2011
- Series TitleOxford Graduate Texts
- Place of PublicationOxford
- Country of PublicationUnited Kingdom
- ImprintOxford University Press
- Content Note160 b/w illustrations
- Weight1230 g
- Width178 mm
- Height254 mm
- Spine31 mm
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