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First principle calculations of yttrium-doped palladium clusters

โœ Scribed by Wei Su; Ping Qian; Ying Liu; Jiang Shen; Nan-Xian Chen


Book ID
108107587
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
807 KB
Volume
181
Category
Article
ISSN
0010-4655

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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