| Time-Dependent Density-Functional Theory: Concepts and Applications Contributor(s): Ullrich, Carsten A. (Author) |
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ISBN: 0198841930 ISBN-13: 9780198841937 Publisher: Oxford University Press, USA OUR PRICE: $36.09 Product Type: Paperback - Other Formats Published: June 2019 |
| Additional Information |
| BISAC Categories: - Science | Physics - Condensed Matter - Science | Chemistry - Physical & Theoretical - Science | Life Sciences - Biochemistry |
| Dewey: 541.28 |
| Physical Information: 1.2" H x 6.7" W x 9.6" (2.00 lbs) 536 pages |
| Descriptions, Reviews, Etc. |
| Publisher Description: 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. 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. 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. |