Structure and properties of small silico
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Karl Jug; Hans-Peter Schluff; Hans Kupka; RΓΌdiger Iffert
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Article
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1988
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John Wiley and Sons
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English
β 554 KB
Small Sin and Al, clusters (n = 3-10) were studied with the semiempirical molecular orbital method (MO) method SINDO1. For each n, various structures were optimized to determine the most stable structure. To obtain good qualitative agreement with available ab initio calculations d orbitals had to be