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Time-dependent density-functional theory : concepts and applications /
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, wit...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Oxford :
Oxford University Press,
2012.
|
| Colección: | Oxford graduate texts.
|
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 100 | 1 | |a Ullrich, Carsten A., |e author. | |
| 245 | 1 | 0 | |a Time-dependent density-functional theory : |b concepts and applications / |c Carsten A. Ullrich. |
| 260 | |a Oxford : |b Oxford University Press, |c 2012. | ||
| 300 | |a 1 online resource (xiv, 526 pages) : |b illustrations. | ||
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| 490 | 1 | |a Oxford graduate texts | |
| 520 | |a 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. | ||
| 505 | 0 | |a 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. | |
| 504 | |a Includes bibliographical references and index. | ||
| 588 | 0 | |a Print version record. | |
| 590 | |a ProQuest Ebook Central |b Ebook Central Academic Complete | ||
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| 650 | 0 | |a Density functionals. | |
| 650 | 0 | |a Mathematical physics. | |
| 650 | 6 | |a Fonctionnelles densité. | |
| 650 | 6 | |a Physique mathématique. | |
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| 776 | 0 | 8 | |i Print version: |a Ullrich, Carsten A. |t Time-dependent density-functional theory. |d Oxford ; New York : Oxford University Press, 2012 |z 9780199563029 |w (DLC) 2012382303 |w (OCoLC)751833811 |
| 830 | 0 | |a Oxford graduate texts. | |
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