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Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.
Table des matières
- 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
A propos de l'auteur
Carsten A. Ullrich, Department of Physics and Astronomy, University of Missouri - Columbia.
Résumé
Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.
Texte suppl.
This is a very pedagogical introduction to the central ideas of time-dependent density-functional theory. The theory is described in depth and illustrated with many insightful examples and applications in atomic, molecular and condensed matter physics. This is a valuable book for both students and researchers.
