Titlebook: Optical Absorption Spectra Calculated Using Linear-Scaling Density-Functional Theory; Laura Ratcliff Book 2013 Springer International Publ

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2190-5053 onal basis sets and the presentation of two methods for band structure calculation using localized basis sets, both of which have important implications for the use of localized basis sets within LS-DFT.978-3-319-03373-0978-3-319-00339-9Series ISSN 2190-5053 Series E-ISSN 2190-5061

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Conclusion,We began this thesis by observing that the field of experimental spectroscopy has made a significant impact on our knowledge of the properties of materials, in particular relating to their electronic structures. However, in order to fully understand this information, the ability to theoretically determine spectra is a vital tool.

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