A Single Reference Perturbation Theory beyond the Møller−Plesset Partition
✍ Scribed by Chen, Feiwu
- Book ID
- 126069502
- Publisher
- American Chemical Society
- Year
- 2009
- Tongue
- English
- Weight
- 87 KB
- Volume
- 5
- Category
- Article
- ISSN
- 1549-9618
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📜 SIMILAR VOLUMES
A state-selective (intermediate Hamiltonian) formulation of the recently proposed multi-partitioning M~ller-Plesset perturbation theory is presented. The novel approach offers the possibility to combine the decontracted treatment of the reference space parts of wavefunctions with numerical stability
A modified form of multi-reference second-order perturbation theory is considered. The nature of the poor convergence of + Moller-Plesset perturbation theory for systems like cyano radical or He\* , He:+, OS+ cations is analyzed. Additionally, isomerization of the formaldehyde radical cation and the