Time-dependent density-functional theory :
Ullrich, Carsten
Time-dependent density-functional theory : concepts and applications / Carsten Ullrich. - First Edition - xiv, 526 pages : illustrations ; 26 cm. - Oxford graduate texts . - Oxford graduate texts .
Includes index.
Includes bibliographical references (p. [484]-510).
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.
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.
9780199563029 (hbk.) 0199563020 (hbk.)
2012382303
GBB1A2026 bnb GBB1A2026 dnb
015878924 Uk
Density functionals
Mathematical physics
QC20.7.D43 / U45 2012
541.28
Time-dependent density-functional theory : concepts and applications / Carsten Ullrich. - First Edition - xiv, 526 pages : illustrations ; 26 cm. - Oxford graduate texts . - Oxford graduate texts .
Includes index.
Includes bibliographical references (p. [484]-510).
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.
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.
9780199563029 (hbk.) 0199563020 (hbk.)
2012382303
GBB1A2026 bnb GBB1A2026 dnb
015878924 Uk
Density functionals
Mathematical physics
QC20.7.D43 / U45 2012
541.28