Time-Dependent Density-Functional Theory: Concepts and Applications (Hardcover)
- 出版商: Oxford University
- 出版日期: 2012-02-20
- 售價: $1,400
- 貴賓價: 9.8 折 $1,372
- 語言: 英文
- 頁數: 544
- 裝訂: Hardcover
- ISBN: 0199563020
- ISBN-13: 9780199563029
* First, comprehensive, self contained textbook in the field of TDDFT, written by a leader in the field
* The book has a strong emphasis on a pedagogical treatment, with many examples and 125 exercises.
* Suitable as a textbook or companion book for graduate courses in electronic structure theory, theoretical spectroscopy, theoretical and computational chemistry, materials science and many other topics
* The book presents an overview of the state of the art of the field of TDDFT, with over 800 references.
* Many additional resources are contained in the appendices, including a long list of review literature and available computer codes.
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.
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