Cluster model for interstitial hydrogen
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L. SkΓ‘la; L. KΓΌnne; H.-G. Fritsche; H. MΓΌller
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Article
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1982
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John Wiley and Sons
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English
β 680 KB
## Abstract The CNDO, EHT, and SWβX~Ξ±~ methods are used to investigate tetrahedral and octahedral Ni clusters with and without the interstitial hydrogen in the center. Optimized distances between atoms, oneβelectron energy levels, and the bonding mechanism of hydrogen in the nickel clusters are giv