Structure and IR-spectrum calculations for small SF6 clusters
β Scribed by Beu, T. A.; Takeuchi, K.
- Book ID
- 120510142
- Publisher
- American Institute of Physics
- Year
- 1995
- Tongue
- English
- Weight
- 799 KB
- Volume
- 103
- Category
- Article
- ISSN
- 0021-9606
- DOI
- 10.1063/1.470419
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π SIMILAR VOLUMES
The results of self-consistent nonlocal (GGA) density functional calculations are reported for small cobalt clusters (n)6;13). An emphasis is made on a proper treatment of correlation effects. The magnetic as well as the bonding properties of these clusters are discussed in terms of a delicate balan
Ab initio RHF SCF calculations are used for some small clusters M X , x y where M s Cd, Ag; X s S, I; and x, y F 7. Variation of electronic structure with size for some clusters with the bulklike tetrahedral coordination and with the lower symmetry allows one to predict their possible geometries wh