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Influence of the exchange-correlation potential in methods based on time-dependent density-functional theory

✍ Scribed by Bleiziffer, P.; Heßelmann, A.; Umrigar, C. J.; Görling, Andreas


Book ID
121717529
Publisher
The American Physical Society
Year
2013
Tongue
English
Weight
259 KB
Volume
88
Category
Article
ISSN
1050-2947

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## Abstract The electronic absorption spectra of a range of copper and zinc complexes have been simulated by using time‐dependent density functional theory (TD‐DFT) calculations implemented in Gaussian03. In total, 41 exchange‐correlation (XC) functionals including first‐, second‐, and third‐genera