Miguel Marques Orden de los libros

Recent advances in time-dependent density functional theory (TDDFT) have significantly enhanced both its theoretical foundations and computational applications. This volume systematically compiles these developments, succeeding the previous successful edition. It begins with a comprehensive pedagogical presentation of the fundamental theory, clarifying original proofs and introducing new extensions, including alternative proofs of the Runge-Gross theorem, open quantum systems, and dispersion forces. The text sequentially builds complexity, addressing contemporary applications such as real-time coupled-electron-ion dynamics, excited-state dynamics, and molecular transport. Additionally, it reviews recent computational advancements, including massively parallel architectures and graphical processing units. Careful editing ensures coherence across contributions from multiple authors, making it a reference for both beginners and experts in the field. This resource is suitable for researchers and educators teaching advanced quantum mechanical methods to model complex systems, from molecules to nanostructures. Reviews highlight its structured organization, accessibility for novices and experienced users alike, and its pedagogical soundness, making it a valuable addition for anyone with a solid grounding in many-particle quantum mechanics.

The year 2004 was a remarkable one for the growing ? eld of time-dependent density functional theory (TDDFT). Not only did we celebrate the 40th - niversary of the Hohenberg-Kohn paper, which had laid the foundation for ground-state density functional theory (DFT), but it was also the 20th - niversary of the work by Runge and Gross, establishing a ? rm footing for the time-dependent theory. Because the ? eld has grown to such prominence, and has spread to so many areas of science (from materials to biochemistry), we feel that a volume dedicated to TDDFT is most timely. TDDFT is based on a set of ideas and theorems quite distinct from those governingground-stateDFT, butemployingsimilar techniques. Itisfarmore than just applying ground-state DFT to time-dependent problems, as it - volves its own exact theorems and new and di? erent density functionals. Presently, themostpopularapplicationistheextractionofelectronicexcit- state properties, especially transition frequencies. By applying TDDFT after thegroundstateofamoleculehasbeenfound, wecanexploreandunderstand the complexity of its spectrum, thus providing much more information about the species. TDDFT has a especially strong impact in the photochemistry of biological molecules, where the molecules are too large to be handled by t- ditional quantum chemical methods, and are too complex to be understood with simple empirical frontier orbital theory.