| Time-Dependent Density Functional Theory Contributor(s): Marques, Miguel A. L. (Editor), Ullrich, Carsten A. (Editor), Nogueira, Fernando (Editor) |
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ISBN: 3642071287 ISBN-13: 9783642071287 Publisher: Springer OUR PRICE: $94.99 Product Type: Paperback - Other Formats Published: November 2010 |
| Additional Information |
| BISAC Categories: - Science | Physics - Mathematical & Computational - Science | Chemistry - Physical & Theoretical - Science | Physics - Quantum Theory |
| Dewey: 541.28 |
| Series: Lecture Notes in Physics |
| Physical Information: 555 pages |
| Descriptions, Reviews, Etc. |
| Publisher Description: 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 theo |