Time-dependent Density-functional Theory: Concepts and Applications (BOK)

Carsten A. Ullrich

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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, 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.

Produktfakta

Språk Engelsk Engelsk Innbinding Innbundet
Utgitt 2011 Forfatter Carsten A. Ullrich
Forlag
OXFORD UNIVERSITY PRESS ACADEM
ISBN 9780199563029
Antall sider 536 Dimensjoner 17,8cm x 25,4cm x 3,1cm
Vekt 1230 gram Leverandør Bertram Trading Ltd
Emner og form Biochemistry, Atomic & molecular physics, Quantum & theoretical chemistry, Chemical physics