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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.
Produkteigenschaften
- Artikelnummer: 9780198841937
- Medium: Buch
- ISBN: 978-0-19-884193-7
- Verlag: OXFORD UNIV PR
- Erscheinungstermin: 30.06.2019
- Sprache(n): Englisch
- Auflage: Erscheinungsjahr 2019
- Produktform: Kartoniert, Paperback
- Gewicht: 924 g
- Seiten: 536
- Format (B x H x T): 170 x 244 x 29 mm
- Ausgabetyp: Kein, Unbekannt