Time-Dependent Density-Functional Theory
Oxford University Press (Verlag)
978-0-19-884193-7 (ISBN)
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.
Carsten A. Ullrich, Department of Physics and Astronomy, University of Missouri - Columbia.
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
| Erscheinungsdatum | 20.06.2019 |
|---|---|
| Reihe/Serie | Oxford Graduate Texts |
| Verlagsort | Oxford |
| Sprache | englisch |
| Maße | 164 x 244 mm |
| Gewicht | 908 g |
| Themenwelt | Naturwissenschaften ► Chemie ► Physikalische Chemie |
| Naturwissenschaften ► Physik / Astronomie ► Angewandte Physik | |
| Naturwissenschaften ► Physik / Astronomie ► Atom- / Kern- / Molekularphysik | |
| ISBN-10 | 0-19-884193-0 / 0198841930 |
| ISBN-13 | 978-0-19-884193-7 / 9780198841937 |
| Zustand | Neuware |
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