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Anotace knihy

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.

Parametry knihy

Zařazení knihy Knihy v angličtině Mathematics & science Physics Applied physics

• Plný název: Time-Dependent Density-Functional Theory
• Podnázev: Concepts and Applications
• Autor: Carsten A Ullrich
• Jazyk: Angličtina
• Vazba: Pevná
• Počet stran: 542
• EAN: 9780199563029
• ISBN: 0199563020
• ID: 01323448
• Nakladatelství: Oxford University Press
• Hmotnost: 1032 g
• Rozměry: 178 × 252 × 33 mm
• Datum vydání: 22. December 2011

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