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| Artikel-Nr.: 5667A-9783642071287 Herst.-Nr.: 9783642071287 EAN/GTIN: 9783642071287 |
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![](/p.gif) | 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. Weitere Informationen: ![](/p.gif) | ![](/p.gif) | Author: | Miguel A.L. Marques; Carsten A. Ullrich; Fernando Nogueira; Angel Rubio; Kieron Burke; Eberhard K. U. Gross | Verlag: | Springer Berlin | Sprache: | eng |
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![](/p.gif) | Weitere Suchbegriffe: DFT; TDDFT; chemistry; density fractionals; materials science; Quantum Chemistry, DFT, TDDFT, chemistry, density fractionals, materials science, quantum chemistry |
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