Time-Dependent Density-Functional Theory: Concepts and Applications

✍ Scribed by Carsten Ullrich

Publisher: Oxford University Press
Year: 2012
Tongue: English
Leaves: 541
Series: Oxford Graduate Texts
Edition: 1
Category: Library

No coin nor oath required. For personal study only.

✦ Synopsis

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.

✦ Subjects

Физика;Квантовая физика;

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