Abstract
The structure and relative stability of small silicon clusters was studied using ab initio all-electron molecular-orbital calculations. All-electron molecular-orbital methods with including electron correlation effects in the determination of the cluster geometry was used. It was found that the structures of small clusters were different from the tetrahedral coordination characteristic of bulk silicon.
Original language | English (US) |
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Pages (from-to) | 3558-3570 |
Number of pages | 13 |
Journal | Journal of Chemical Physics |
Volume | 118 |
Issue number | 8 |
DOIs | |
State | Published - Feb 22 2003 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry