Time-Dependent Density-Functional Theory: Concepts and Applications - Couverture rigide

Ullrich, Carsten A.

Couverture rigide

ISBN 10 : 0199563020 ISBN 13 : 9780199563029

Editeur : Oxford University Press, 2011

Synopsis

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.

A propos du livre

À propos de l?auteur

Carsten Ullrich is Associate Professor of Physics at the University of Missouri-Columbia.

Détails de l'édition

• Éditeur: Oxford University Press
• Date d'édition: 2011
• Langue: anglais
• ISBN 10: 0199563020
• ISBN 13: 9780199563029
• Reliure: Relié
• Nombre de pages: 542
• Coordonnées du fabricant: non disponible