CNDO/2 calculations of relaxation and re
β
I. ΔΉszlΓ³
π
Article
π
1982
π
John Wiley and Sons
π
English
β 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