The vertical spectrum for the low-lying excited states of the Lid cluster in its optimal rhombic geometry has been determined by a large-scale direct CI procedure. The energy of the lowest triplet state has also been computed by allowing for full nuclear relaxation. The optimum geometry is found to
✦ LIBER ✦
On excited states of the Au3 cluster: an ab initio study
✍ Scribed by Rusakov, Alexander ;Zaitsevskii, André
- Book ID
- 111489005
- Publisher
- Walter de Gruyter GmbH
- Year
- 2008
- Tongue
- English
- Weight
- 240 KB
- Volume
- 6
- Category
- Article
- ISSN
- 2391-5471
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