Binding energies and electron affinities of small silicon clusters (n=2–5)
- 1 May 1992
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 96 (9) , 6868-6872
- https://doi.org/10.1063/1.462577
Abstract
The Gaussian‐2 (G2) theoretical procedure, based on ab initio molecular orbital theory, is used to calculate the energies of Sin and Si−n (n=1–5) clusters. The G2 energies are used to derive accurate binding energies and electron affinities of these clusters. The calculated electron affinities of Si2–Si4 are in agreement to within 0.1 eV with results from recent photoelectron spectroscopic measurements.Keywords
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