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
Properties of the BCl molecule studied by fourth-order many-body perturbation theory
✍ Scribed by Florian Müller-Plathe; Geerd H. F. Diercksen
- Publisher
- John Wiley and Sons
- Year
- 1987
- Tongue
- English
- Weight
- 376 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract Many‐body perturbation calculations have been performed for the ground state of the carbon monoxide molecule at its equilibrium internuclear separation. The calculations are complete through third order within the algebraic approximation; i.e., the state functions are parameterized by e
The ground state as well as some low-lying excited states of the Ne q molecule are 2 calculated by means of the third-order multireference many-body perturbation theory with the ''full'' eight-orbital valence space using DZP and polarized valence TZ basis sets. The problem encountered with a large n