A valence bond theory of off-center impurities in silicon
β Scribed by R.P. Messmer; P.A. Schultz
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 405 KB
- Volume
- 52
- Category
- Article
- ISSN
- 0038-1098
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π SIMILAR VOLUMES
An anomalous positive shift when the mass of the Si host isotope is increased has been observed recently [Pereira et al., Physica B 340-342 (2003) 697] for the asymmetric stretch frequency of the bond-centered proton in Si Γ°H ΓΎ BC Γ. On the other hand, the usual downward isotope shift was observed f
## Abstract Starting from the 1980s and onwards, Valence Bond theory has been enjoying renaissance that is characterized by the development of a growing number of __ab initio__ methods, and by many applications to chemical reactivity and to the central paradigms of chemistry. Owing the increase of
On the basis of generalized valence bond calculations we propose a new type of structure for the Silo cluster. This structure is found to have large intra-pair correlation effects, suggesting the inadequacy of a single determinant reference wave function in conjunction with Moller-Plesset perturbati