Description |
1 online resource (xiv, 526 pages) : illustrations |
Series |
Oxford graduate texts |
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Oxford graduate texts.
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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.
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Mathematical physics.
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SCIENCE -- Chemistry -- Physical & Theoretical.
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Density functionals
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Mathematical physics
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Dichte Stochastik
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Dichtefunktionalformalismus
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Statistische Physik
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Vielteilchentheorie
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Zeitabhängige Methode
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Form |
Electronic book
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LC no. |
2012382303 |
ISBN |
9780191626913 |
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0191626910 |
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9780191775130 |
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0191775134 |
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9781283426824 |
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128342682X |
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