Overview

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.

Full Product Details

Author:   Carsten A. Ullrich (Department of Physics and Astronomy, University of Missouri - Columbia)
Publisher:   Oxford University Press
Imprint:   Oxford University Press
Dimensions:   Width: 16.40cm , Height: 2.80cm , Length: 24.40cm
Weight:   0.908kg
ISBN:  

9780198841937

ISBN 10:   0198841930
Pages:   536
Publication Date:   14 May 2019
Audience:   College/higher education ,  Professional and scholarly ,  Postgraduate, Research & Scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   To order  
Stock availability from the supplier is unknown. We will order it for you and ship this item to you once it is received by us.

Table of Contents

1: Introduction 2: Review of ground-state density-functional theory 3: Fundamental existence theorems 4: Time-dependent Kohn-Sham scheme 5: Time-dependent observables 6: Properties of the time-dependent xc potential 7: The formal framework of linear-response TDDFT 8: The frequency-dependent xc kernel 9: Applications in atomic and molecular systems 10: Time-dependent current-DFT 11: Time-dependent optimized effective potential 12: Extended systems 13: TDDFT and many-body theory 14: Long-range correlations and dispersion interactions 15: Nanoscale transport and molecular junctions 16: Strong-field phenomena and optimal control 17: Nuclear motion A: Atomic units B: Functionals and functional derivatives C: Densities and density matrices D: Hartree-Fock and other wave-function approaches E: Constructing the xc potential from a given density F: DFT for excited states G: Systems with noncollinear spin H: The dipole approximation I: A brief review of classical fluid dynamics J: Constructing the scalar from the tensor xc kernel K: Semiconductor quantum wells L: TDDFT in a Lagrangian frame M: Inversion of the dielectric matrix N: Review literature in DFT and many-body theory O: TDDFT computer codes

Reviews

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 Jyvaskyla *

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 *

Author Information

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

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