Carsten A Ullrich

Time-Dependent Density-Functional Theory

Concepts and Applications

• Broschiertes Buch

Produktbeschreibung

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.

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Produktdetails

• Verlag: Oxford University Press (UK)
• Seitenzahl: 536
• Erscheinungstermin: 30. Juni 2019
• Englisch
• Abmessung: 244mm x 170mm x 30mm
• Gewicht: 907g
• ISBN-13: 9780198841937
• ISBN-10: 0198841930
• Artikelnr.: 54797825

Autorenporträt

Carsten A. Ullrich, Department of Physics and Astronomy, University of Missouri - Columbia.

Inhaltsangabe

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