Time-Dependent Density-Functional Theory

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. <p/>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. <p/>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.<br>