Time-Dependent Density-Functional Theory: Concepts and Applications

Ullrich, Carsten A.

ISBN 10: 0198841930 / ISBN 13: 9780198841937

Edité par Oxford Univ PR, 2019

May have limited writing in cover pages. Pages are unmarked. ~ ThriftBooks: Read More, Spend Less 2. N° de réf. du vendeur G0198841930I4N00

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.

À propos de l?auteur: Carsten A. Ullrich, Department of Physics and Astronomy, University of Missouri - Columbia.

Détails bibliographiques

Titre : Time-Dependent Density-Functional Theory: ...
Éditeur : Oxford Univ PR
Date d'édition : 2019
Reliure : Paperback
Etat : Very Good
Etat de la jaquette : No Jacket