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Book Cover
E-book
Author Ullrich, Carsten A., author.

Title Time-dependent density-functional theory : concepts and applications / Carsten A. Ullrich
Published Oxford : Oxford University Press, 2012

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Description 1 online resource (xiv, 526 pages) : illustrations
Series Oxford graduate texts
Oxford graduate texts.
Contents Introduction -- Review of ground-state density-functional theory -- Fundamental existence theorems -- The time-dependent Kohn-Sham scheme -- Time-dependent observables -- Properties of the time-dependent xc potential -- The formal framework of linear-response TDDFT -- The frequency-dependent xc kernel -- Applications to atomic and molecular systems -- Time-dependent current-DFT -- The time-dependent optimized effective potential -- Extended systems -- TDDFT and many-body theory -- Long-range correlations and dispersion interactions -- Nanoscale transport and molecular junctions -- Strong-field phenomena and optimal control -- Nuclear motion -- Appendix A. Atomic units -- Appendix B. Functionals and functional derivatives -- Appendix C. Densities and density matrices -- Appendix D. Hartree-Fock and other wave-function approaches -- Appendix E. Constructing the xc potential from a given density -- Appendix F. DFT for excited states -- Appendix G. Systems with noncollinear spins -- Appendix H. The dipole approximation -- Appendix I. A brief review of classical fluid dynamics -- Appendix J. Constructing the scalar xc kernel from the tensor xc kernel -- Appendix K. Semiconductor quantum wells -- Appendix L. TDDFT in a Lagrangian frame -- Appendix M. Inversion of the dielectric matrix -- Appendix N. Review literature on DFT and many-body theory -- Appendix O. TDDFT computer codes
Summary 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 s
Bibliography Includes bibliographical references and index
Notes Print version record
Subject Density functionals.
Mathematical physics.
SCIENCE -- Chemistry -- Physical & Theoretical.
Density functionals
Mathematical physics
Dichte Stochastik
Dichtefunktionalformalismus
Statistische Physik
Vielteilchentheorie
Zeitabhängige Methode
Form Electronic book
LC no. 2012382303
ISBN 9780191626913
0191626910
9780191775130
0191775134
9781283426824
128342682X