eBook, PDF

Time-Dependent Density Functional Theory (eBook, PDF)

Beschreibung

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.

Technische Details

• Geräte: PC
• ohne Kopierschutz
• Größe: 6.88MB

Barrierefreiheit

• Text-to-Speech

Produktdetails

• Verlag: Springer Berlin Heidelberg
• Seitenzahl: 555
• Erscheinungstermin: 12. September 2006
• Englisch
• ISBN-13: 9783540354260
• Artikelnr.: 44126714

Rezensionen

From the reviews:

"Time-Dependent Density Functional Theory represents a concise overview of the field ... . this is a well-structured text, with a common set of notations and a single comprehensive and up-to-date list of references, rather than just a compilation of research articles. Because of its clear organization, the book can be used by novices (basic knowledge of ground-state DFT is assumed) and experienced users of TD-DFT, as well as developers in the field." (Anna I. Krylov, Journal of the American Chemical Society, Vol. 129 (21), 2007)

"The reviewed book is a broad reflection of the current state of the TD DFT and summary of its achievements since 1984. It is naturally partitioned into the chapters that outline the formal theoretical approach of the TD DFT ... . To summarize, the book 'Time-Dependent Density Functional Theory' is a valuable book for those, PhD students in particular, who are interested in the whole spectrum of problems related to density functional theory and its broad applications to many-body quantum theory." (Eugene Kryachko, Zentralblatt MATH, Vol. 1110 (12), 2007)