Overview
- 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
Part of the book series: Springer Theses (Springer Theses)
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Table of contents (9 chapters)
Keywords
- Density functional theory for computational biology
- Electronic Properties of Organic Crystals
- Electronic Structure Theory
- Excited State Properites of Large Systems
- Large System Electronic Properties
- Linear Response Formulation
- Linear-scaling Techniques
- Optical Excitations in Large Systems
- Time-dependent Density-functional Theory
About this book
Authors and Affiliations
Bibliographic Information
Book Title: Computing the Optical Properties of Large Systems
Authors: Tim Joachim Zuehlsdorff
Series Title: Springer Theses
DOI: https://doi.org/10.1007/978-3-319-19770-8
Publisher: Springer Cham
eBook Packages: Physics and Astronomy, Physics and Astronomy (R0)
Copyright Information: Springer International Publishing Switzerland 2015
Hardcover ISBN: 978-3-319-19769-2Published: 25 June 2015
Softcover ISBN: 978-3-319-37013-2Published: 15 October 2016
eBook ISBN: 978-3-319-19770-8Published: 05 June 2015
Series ISSN: 2190-5053
Series E-ISSN: 2190-5061
Edition Number: 1
Number of Pages: XIV, 188
Number of Illustrations: 17 b/w illustrations, 14 illustrations in colour
Topics: Numerical and Computational Physics, Simulation, Solid State Physics, Atomic/Molecular Structure and Spectra