Time-Dependent Density-Functional Theory

Concepts and Applications

Inbunden, Engelska, 2011

Av Carsten A. Ullrich, University of Missouri - Columbia) Ullrich, Carsten A. (Department of Physics and Astronomy, ULLRICH

1 509 kr

Beställningsvara. Skickas inom 5-8 vardagar
Fri frakt för medlemmar vid köp för minst 249 kr.

Finns i fler format (1)


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.

Produktinformation

  • Utgivningsdatum2011-12-22
  • Mått178 x 254 x 31 mm
  • Vikt1 170 g
  • FormatInbunden
  • SpråkEngelska
  • SerieOxford Graduate Texts
  • Antal sidor542
  • FörlagOUP OXFORD
  • ISBN9780199563029