Time-Dependent Density-Functional Theory: Concepts and Applications (Oxford Graduate Texts) - Softcover

Ullrich, Carsten A.

Softcover

ISBN 10: 0198841930 ISBN 13: 9780198841937

Publisher: Oxford University Press, 2019

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.

About this title

About the Author

Carsten A. Ullrich, Department of Physics and Astronomy, University of Missouri - Columbia

Carsten A. Ullrich, Department of Physics and Astronomy, University of Missouri - Columbia.

Edition details

• Publisher: Oxford University Press
• Publication date: 2019
• Language: English
• ISBN 10: 0198841930
• ISBN 13: 9780198841937
• Binding: Paperback
• Number of pages: 536