Ground state electronic structures of C60 and metal coated C60, modeled with the clusters Lil2C60 and Li32C60, are analyzed within the local density functional approximation. The low-energy part of the linear-response spectra of a bare C60, LilECa~ and Li3zC60 is also studied. The Kohn-Sham molecula
β¦ LIBER β¦
Electronic structure and optical properties of chelating heteroatomic conjugated molecules: a SAC-CI study
β Scribed by Yun-Peng Lu; Masahiro Ehara
- Publisher
- Springer
- Year
- 2009
- Tongue
- English
- Weight
- 547 KB
- Volume
- 124
- Category
- Article
- ISSN
- 1432-2234
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