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- Title
A COMPARATIVE STUDY OF EMPIRICAL POTENTIAL ENERGY FUNCTIONS:: APPLICATIONS TO SILICON MICROCLUSTERS.
- Authors
Erkoç, Şakir; Takahashi, Kunio
- Abstract
A comparative study has been performed for silicon microclusters, Si3 and Si4, considering fifteen different empirical potential energy functions. It has been found that only two of the empirical potential energy functions give linear structure more stable for Si3, the remaining potential functions give triangular structure as more stable. In the case of Si4 microclusters eight potential functions give open tetrahedral structure as more stable, two functions give perfect tetrahedral as more stable, three functions give square structure as more stable, and two functions give linear structure as more stable.
- Subjects
POTENTIAL energy surfaces; QUANTUM chemistry; SILICON; MICROCLUSTERS; MICROPHYSICS; ATOMS
- Publication
International Journal of Modern Physics C: Computational Physics & Physical Computation, 2004, Vol 15, Issue 3, p403
- ISSN
0129-1831
- Publication type
Article