Time-dependent density-functional theory : concepts and applications /

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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...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Ullrich, Carsten A. (Autor)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Oxford : Oxford University Press, 2012.
Colección:Oxford graduate texts.
Temas:
Density functionals.
Mathematical physics.
Fonctionnelles densité.
Physique mathématique.
SCIENCE > Chemistry > Physical & Theoretical.
Density functionals
Mathematical physics
Dichte > Stochastik
Dichtefunktionalformalismus
Statistische Physik
Vielteilchentheorie
Zeitabhängige Methode
Acceso en línea:Texto completo
Tabla de Contenidos:
  • 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.

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