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Time-Dependent Density-Functional Theory

Time-Dependent Density-Functional Theory

Concepts and Applications

by Carsten A. Ullrich
Paperback
Publication Date: 30/06/2019

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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.
ISBN:
9780198841937
9780198841937
Category:
Quantum & theoretical chemistry
Format:
Paperback
Publication Date:
30-06-2019
Publisher:
Oxford University Press
Country of origin:
United Kingdom
Pages:
536
Dimensions (mm):
244x164x28mm
Weight:
0.91kg

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