“Unlinked cluster” corrections to coupled electron pair theories
✍ Scribed by Sally Prime; Michael A. Robb
- Book ID
- 103017031
- Publisher
- Elsevier Science
- Year
- 1975
- Tongue
- English
- Weight
- 681 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
The application of the coupled cluster method restricted to single and double excitations (CCSD) to a non-Hat-tree-Fock determinantal reference wavefunction is examined, with particular emphasis on the case of spin-restricted open shell reference states. By considering the perturbation expansions of
We propose a highly correlated scheme for implementing a Fock-space multireference coupled-cluster theory for computing directly ionization potentials ( IPs). We include all the single and double excitation cluster amplitudes and certain contributions from the triples which contribute at third and f