The second-order multireference perturbation theory employing multiple partitioning of the many-electron Hamiltonian into a zero-order part and a perturbation is formulated in terms of many-body diagrams. The essential difference from the standard diagrammatic technique of Hose and Kaldor concerns t
The structure of HSSi+ as determined by fourth-order many-body perturbation theory
β Scribed by Eneida G. Lima; Sylvio Canuto
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 299 KB
- Volume
- 144
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
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 predicted for possible astrophysical identification.
π SIMILAR VOLUMES
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