Time-Dependent Density-Functional Theory : Concepts and Applications Paperback / softback
Part of the Oxford Graduate Texts series
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 derWaals interactions, nanoscale transport, and molecular dynamics.
- Format: Paperback / softback
- Pages: 536 pages
- Publisher: Oxford University Press
- Publication Date: 14/05/2019
- Category: Atomic & molecular physics
- ISBN: 9780198841937