| Titre : |
Time-dependent density-functional theory : concepts and applications |
| Type de document : |
texte imprimé |
| Auteurs : |
Carsten Ullrich |
| Editeur : |
Oxford : Oxford University Press |
| Année de publication : |
2012 |
| Importance : |
xiv, 526 p. |
| Présentation : |
ill. |
| Format : |
26 cm |
| ISBN/ISSN/EAN : |
978-0-19-956302-9 |
| Langues : |
Anglais (eng) |
| Catégories : |
Chimie théorique
|
| Tags : |
DENSITY FUNCTIONAL MATHEMATICAL PHYSICS |
| Index. décimale : |
B-H |
| Résumé : |
"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." |
| Cote : |
B-H071 (SdS) |
| Num_Inv : |
3218 |
Time-dependent density-functional theory : concepts and applications [texte imprimé] / Carsten Ullrich . - Oxford : Oxford University Press, 2012 . - xiv, 526 p. : ill. ; 26 cm. ISBN : 978-0-19-956302-9 Langues : Anglais ( eng)
| Catégories : |
Chimie théorique
|
| Tags : |
DENSITY FUNCTIONAL MATHEMATICAL PHYSICS |
| Index. décimale : |
B-H |
| Résumé : |
"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." |
| Cote : |
B-H071 (SdS) |
| Num_Inv : |
3218 |
|  |
Time-dependent density-functional theory
