Tight-binding calculation of ionization potentials of small silicon clusters
β Scribed by Jijun Zhao; Xiaoshuang Chen; Qiang Sun; Fengqi Liu; Guanghou Wang
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 308 KB
- Volume
- 198
- Category
- Article
- ISSN
- 0375-9601
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π SIMILAR VOLUMES
The coupled-cluster method in an open-shell version with non-Hen&an model interaction is applied for direct calculation of vertical ionization potentials of closed-shell molecular systems. The theory is illustrated by calculation of vertical ionization potentials of the water molecule. The calculate
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