CNDO/2 calculations of relaxation and re
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I. Ĺszló
📂
Article
📅
1982
🏛
John Wiley and Sons
🌐
English
⚖ 376 KB
## Abstract CNDO/2 calculations have been performed on the clusters __X__~4~H~9~ and __X__~4~__Y__~9~ modeling the [111] diamond and silicon surfaces. The __X__ is either carbon or silicon atom and the __Y__ is a pseudoatom containing one __sp__^3^ hybrid orbital. It is shown that in the CNDO/2 app