The rotational constants of HSSi+ and HSiS+ are calculated by fourth-order many-body perturbation theory utilizing a doublezeta plus polarization basis set. The results agree with a previous CI estimate that HSSi+ (bent) is more stable than HSW (linear) and frequencies of rotational lines are predic
✦ LIBER ✦
The equilibrium geometry of C60 as predicted by second-order (MP2) perturbation theory
✍ Scribed by Macro Häser; Jan Almlöf; Gustavo E. Scuseria
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 345 KB
- Volume
- 181
- Category
- Article
- ISSN
- 0009-2614
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