The electronic structure of small iron clusters is probed with size-selected anion photoelectron spectroscopy. The photoelectron spectra for Fe~ to Fe~6 exhibit consistently sharp features near the threshold and their spectral changes correlate well with changes of their chemical reactivity. Extende
Electronic structure of small palladium and platinum clusters
β Scribed by E. Miyoshi; Y. Sakai; S. Mori
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 431 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Electronic structures of Pd4 and P t4 clusters are studied using a model potential method in the Hartree-Fock-Xootha scheme. The lowest bound state of Pd4 is 'Bz ruising from (d'0)3d9s, while the ground state of A4 is 7B2, which comes from (ds#. Band structures of the clusters are compared with tllose of the bulk metals_ 1. Pntroduction
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Multireference-configuration interaction MRD-CI calculations were carried out in detail to ascertain the spatial structures and the ground electronic states of Ε½ . q Ε½ . q He H and He H clusters, together with their lower-lying excited electronic states. 3 4 ## Ε½ . q The existence of a structura
The structure and energetics of stoichiometric (NaCl)n, 1 ~< n ~< 4, clusters, and of halide-deficient clusters in the sequence Na4Clm, 0 ~< m ~< 3, are studied using local-spin-density functional calculations, with and without exchange-correlation gradient corrections. The energy optimized structur