Quasidegenerate second-order perturbation corrections to single-excitation configuration interaction
โ Scribed by Head-Gordon, Martin; Oumi, Manabu; Maurice, David
- Book ID
- 117995823
- Publisher
- Taylor and Francis Group
- Year
- 1999
- Tongue
- English
- Weight
- 1001 KB
- Volume
- 96
- Category
- Article
- ISSN
- 0026-8976
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
A perturbative correction, termed RCIS (D), to restricted open shell single excitation configuration interaction (ROCIS) is formulated and implemented for excited states of radicals. RCIS(D) gives spin-pure energies (but not wavefunctions), is size-consistent, and has computational complexity scalin
A perturbative correction to the method of configuration interaction with single substitutions (CIS) is presented. This CIS( D) correction approximately introduces the effect of double substitutions which are absent in CIS excited states. CIS (D) is a secondorder perturbation expansion of the couple