Time-Dependent Density-Functional Theory - Concepts and Applications (Hardcover)

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.

General

Imprint:	Oxford UniversityPress
Country of origin:	United Kingdom
Series:	Oxford Graduate Texts
Release date:	December 2011
First published:	February 2012
Authors:	Carsten A. Ullrich
Dimensions:	254 x 178 x 31mm (L x W x T)
Format:	Hardcover
Pages:	542
ISBN-13:	978-0-19-956302-9
Categories:	Books > Science & Mathematics > Physics > Atomic & molecular physics Books > Science & Mathematics > Physics > Applied physics & special topics > Chemical physics Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry Books > Science & Mathematics > Biology, life sciences > Biochemistry > General Promotions
LSN:	0-19-956302-0
Barcode:	9780199563029

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