We present in this work self-consistent density functional theory DFT calculations on atomic electron affinities performed with nonlocal exchange and a local Coulomb correlation functionals. The exchange functionals are the weighted spin-density Ε½ . Ε½ . approximation WSDA symmetrized following the i
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Preliminary report on a local-density functional study of polysilane chains
β Scribed by J. W. Mintmire
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 146 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0020-7608
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