Time-Dependent Density-Functional Theory: Concepts and Applications
| AUTHOR | Ullrich, Carsten |
| PUBLISHER | Oxford University Press, USA (02/20/2012) |
| PRODUCT TYPE | Hardcover (Hardcover) |
Description
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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Product Format
Product Details
ISBN-13:
9780199563029
ISBN-10:
0199563020
Binding:
Hardback or Cased Book (Sewn)
Content Language:
English
More Product Details
Page Count:
544
Carton Quantity:
1
Product Dimensions:
6.80 x 1.30 x 9.70 inches
Weight:
2.65 pound(s)
Feature Codes:
Bibliography,
Index,
Table of Contents,
Illustrated
Country of Origin:
GB
Subject Information
BISAC Categories
Science | Physics - Condensed Matter
Science | Chemistry - Physical & Theoretical
Dewey Decimal:
541.28
Library of Congress Control Number:
2012382303
Descriptions, Reviews, Etc.
publisher marketing
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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List Price $83.00
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