✦ LIBER ✦
Electron correlation and relative energetic characteristics of complex hydrides of light elements. I. Beryllohydrides
✍ Scribed by R. Cimiraglia; M. Persico; J. Tomasi; O. P. Charkin
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 667 KB
- Volume
- 5
- Category
- Article
- ISSN
- 0192-8651
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✦ Synopsis
The effect of correlation energy on the relative stability of different structures and dissociation products of complex lithium beryllohydrides has been investigated. The adequacy of the method employed (third-order Moller-Plesset perturbation theory) and the basis set dependence have been assessed. Trends of the correlation energy according to the molecular structure have been discussed, and the validity of an additive scheme based on electron pair contributions has been tested.