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.
- ISBN:
- 9780198841937
- 9780198841937
-
Category:
- Quantum & theoretical chemistry
- Format:
- Paperback
- Publication Date:
-
30-06-2019
- Publisher:
- Oxford University Press
- Country of origin:
- United Kingdom
- Pages:
- 536
- Dimensions (mm):
- 244x164x28mm
- Weight:
- 0.91kg
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