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Time-Dependent Density-Functional Theory : Concepts and Applications, Paperback / softback Book

Time-Dependent Density-Functional Theory : Concepts and Applications Paperback / softback

Part of the Oxford Graduate Texts series


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 derWaals interactions, nanoscale transport, and molecular dynamics.


  • Format: Paperback / softback
  • Pages: 536 pages
  • Publisher: Oxford University Press
  • Publication Date:
  • Category: Atomic & molecular physics
  • ISBN: 9780198841937



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