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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...

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Detalles Bibliográficos
Autor principal: Ullrich, Carsten A
Lenguaje:eng
Publicado: Oxford University Press 2011
Materias:
Acceso en línea:https://dx.doi.org/10.1093/acprof:oso/9780199563029.001.0001
http://cds.cern.ch/record/1437651
Descripción
Sumario: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