Time-Dependent Density-Functional Theory: Concepts and Applications

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

Time-Dependent Density-Functional Theory

Concepts and Applications

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

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English

Oxford University Press
14 May 2019

Mathematics & Sciences; Atomic & molecular physics; Chemical physics; Quantum & theoretical chemistry; Biochemistry

Series: Oxford Graduate Texts

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.

By: Carsten A. Ullrich (Department of Physics and Astronomy University of Missouri - Columbia)
Imprint: Oxford University Press
Country of Publication: United Kingdom
Dimensions: Height: 244mm, Width: 164mm, Spine: 28mm
Weight: 908g
ISBN: 9780198841937
ISBN 10: 0198841930
Series: Oxford Graduate Texts
Pages: 536
Publication Date: 14 May 2019
Audience: College/higher education , Professional and scholarly , Further / Higher Education , Undergraduate
Format: Paperback
Publisher's Status: Active

Carsten A. Ullrich, Department of Physics and Astronomy, University of Missouri - Columbia.

Reviews for Time-Dependent Density-Functional Theory: Concepts and Applications

This is a very pedagogical introduction to the central ideas of time-dependent density-functional theory. The theory is described in depth and illustrated with many insightful examples and applications in atomic, molecular and condensed matter physics. This is a valuable book for both students and researchers. * Robert van Leeuwen, University of Jyväskylä *