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Computing the Optical Properties of Large Systems

Tim Joachim Zuehlsdorff

978-3-319-19770-8

2015
Edition 1
- Nominated as an outstanding Ph.D. thesis by Imperial College London, UK
- Presents a full introduction to density-functional theory (DFT) and time-dependent DFT with a special focus on standard algorithms used in the community
- Provides an introduction to linear-scaling techniques, as well as a full derivation of a novel linear-scaling time-dependent DFT algorithm
- Includes an in-depth study of two systems of practical interest: the Fenna-Matthews-Olson complex and pentacene-derived molecular defects in p-terphenyl crystal
- Includes supplementary material: sn.pub/extras
€180 €162
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