Time-Dependent Density-Functional Theory: Concepts and Applications
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ISBN: 9780198841937
Author/Editor: Carsten A. Ullrich
Publisher: Oxford University Press
Year: 2019
1 in stock (can be backordered)
Description
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.
Additional information
| Weight | 0.908 kg |
|---|
Product Properties
| Year of Publication | 2019 |
|---|---|
| Table of Contents | 1: Introduction 2: Review of ground-state density-functional theory 3: Fundamental existence theorems 4: Time-dependent Kohn-Sham scheme 5: Time-dependent observables 6: Properties of the time-dependent xc potential 7: The formal framework of linear-response TDDFT 8: The frequency-dependent xc kernel 9: Applications in atomic and molecular systems 10: Time-dependent current-DFT 11: Time-dependent optimized effective potential 12: Extended systems 13: TDDFT and many-body theory 14: Long-range correlations and dispersion interactions 15: Nanoscale transport and molecular junctions 16: Strong-field phenomena and optimal control 17: Nuclear motion A: Atomic units B: Functionals and functional derivatives C: Densities and density matrices D: Hartree-Fock and other wave-function approaches E: Constructing the xc potential from a given density F: DFT for excited states G: Systems with noncollinear spin H: The dipole approximation I: A brief review of classical fluid dynamics J: Constructing the scalar from the tensor xc kernel K: Semiconductor quantum wells L: TDDFT in a Lagrangian frame M: Inversion of the dielectric matrix N: Review literature in DFT and many-body theory O: TDDFT computer codes |
| Author | Carsten A. Ullrich |
| ISBN/ISSN | 9780198841937 |
| Binding | Paperback |
| Edition | 1 |
| Publisher | Oxford University Press |
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