Time-Dependent Density-Functional Theory

Name: Time-Dependent Density-Functional Theory
Brand: Oxford University Press
SKU: 9780199563029
Price: 497.93 RON
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Concepts and Applications

Autor: Carsten A Ullrich

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Editura: Oxford University Press

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Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting elect...

Informații despre carte

Autor

Carsten A Ullrich

Limbă

engleză

Legare

Carte - Copertă tare

Publicat

2011

Pagini

542

EAN

9780199563029

ISBN

0199563020

Enbook ID

01323448

Editura

Oxford University Press

Greutate

1032

Dimensiuni

252 x 178 x 33

Descriere completă

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.

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Time-Dependent Density-Functional Theory

Concepts and Applications

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