Time-dependent density-functional theory : concepts and applications / Carsten A. Ullrich.

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 s.

Introduction -- Review of ground-state density-functional theory -- Fundamental existence theorems -- The time-dependent Kohn-Sham scheme -- Time-dependent observables -- Properties of the time-dependent xc potential -- The formal framework of linear-response TDDFT -- The frequency-dependent xc kernel -- Applications to atomic and molecular systems -- Time-dependent current-DFT -- The time-dependent optimized effective potential -- Extended systems -- TDDFT and many-body theory -- Long-range correlations and dispersion interactions -- Nanoscale transport and molecular junctions -- Strong-field phenomena and optimal control -- Nuclear motion -- Appendix A. Atomic units -- Appendix B. Functionals and functional derivatives -- Appendix C. Densities and density matrices -- Appendix D. Hartree-Fock and other wave-function approaches -- Appendix E. Constructing the xc potential from a given density -- Appendix F. DFT for excited states -- Appendix G. Systems with noncollinear spins -- Appendix H. The dipole approximation -- Appendix I. A brief review of classical fluid dynamics -- Appendix J. Constructing the scalar xc kernel from the tensor xc kernel -- Appendix K. Semiconductor quantum wells -- Appendix L. TDDFT in a Lagrangian frame -- Appendix M. Inversion of the dielectric matrix -- Appendix N. Review literature on DFT and many-body theory -- Appendix O. TDDFT computer codes.

Includes bibliographical references.

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