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Electronic Excitations of Glycine, Alanine, and Cysteine Conformers from First-Principles Calculations

✍ Scribed by Maul, R.; Preuss, M.; Ortmann, F.; Hannewald, K.; Bechstedt, F.


Book ID
121009074
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
276 KB
Volume
111
Category
Article
ISSN
1089-5639

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We discuss an approach to calculate electronic excitations in clusters, which starts from the determination of the ground state within density functional theory and the local density approximation, and subsequently yields electronic spectra from Green's function theory. These methods, which were ori