Optical Absorption Spectra Calculated Using Linear-Scaling Density-Functional Theory
The development of linear-scaling density functional theory (LS-DFT) has made ab initio calculations on systems containing thousands of atoms possible. These systems range from nanostructures to biomolecules. These methods rely on the use of localized basis sets, which are optimised for the represen...
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| Format: | Electronic |
| Language: | English |
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Heidelberg :
Springer International Publishing : Imprint: Springer,
2013.
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| Series: | Springer Theses, Recognizing Outstanding Ph.D. Research,
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| Online Access: | https://ezaccess.library.uitm.edu.my/login?url=http://dx.doi.org/10.1007/978-3-319-00339-9 |